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Reference substances

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General information

Inventory

EC number:
224-073-5
EC name:
Disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
CAS number:
4193-55-9

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Reference substance information

IUPAC name:
disodium 5-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]ethenyl}benzene-1-sulfonate
Synonyms
Names:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[ 5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1 ,3,5-triazin-2-yl]amino]-, disodium salt
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Identifier:
CAS number
4193-55-9
Identifier:
IUPAC name
Disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Identifier:
IUPAC name
disodium 5-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]ethenyl}benzene-1-sulfonate
Identifier:
IUPAC name
disodium 5-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]ethenyl}benzene-1-sulfonate
Identifier:
IUPAC name
disodium 5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(cyclohexa-1,3-dien-1-ylamino)-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]vinyl}benzenesulfonate
Identifier:
common name
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[ 5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1 ,3,5-triazin-2-yl]amino]-, disodium salt Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Identifier:
common name
Blankophor BA
Identifier:
common name
Blankphor BA
Identifier:
other: Fluorescent Brightener 28
Identifier:
other: InChl
InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;
Identifier:
other: InChl
1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
Identifier:
other: SMILES notation
C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na].[Na]
Identifier:
other: Molecular formula
C40H44N12O10S2.2Na
Identifier:
other: InChl
InChI=1/C40H46N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-5,7-9,11-16,25-26,53-56H,6,10,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/rC40H44N12Na2O10S2/c53-63-65(59,60)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51(17-21-55)18-22-56)15-13-27(33)11-12-28-14-16-32(26-34(28)66(61,62)64-54)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-57)20-24-58/h1-5,7-9,11-16,25-26,55-58H,6,10,17-24H2,(H2,41,43,45,47,49)(H2,42,44,46,48,50)
Identifier:
other: InChl
InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
Identifier:
other: SMILES notation
N1=C(NC(C=C(C2/C=C/C(=CC=C3NC(=NC(=N4)NC(C=CC5)=CC=5)N=C4N(CCO)CCO)C(=C3)S(=O)(=O)[O-])S([O-])(=O)=O)=CC=2)N=C(N=C1NC(=CC=C1)C=C1)N(CCO)CCO.[Na+].[Na+]
Identifier:
other: SMILES notation
OCCN(CCO)c1nc(NC2=CC=CCC2)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n1
Identifier:
other: SMILES notation
OCCN(CCO)c2nc(Nc1ccccc1)nc(n2)Nc6ccc(/C=C/c3ccc(cc3S(=O)(=O)O[Na])Nc4nc(nc(n4)N(CCO)CCO)Nc5ccccc5)c(c6)S(=O)(=O)O[Na]
Identifier:
other: SMILES notation
[Na+].[Na+].OCCN(CCO)C1=NC(=NC(=N1)NC2=CC=CC=C2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)[S]([O-])(=O)=O)[S]([O-])(=O)=O
Identifier:
other: SMILES notation
[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1
Identifier:
other: SMILES notation
[Na+].[Na+].[H]OC([H])([H])C([H])([H])N(c1nc(nc(n1)N([H])c1c([H])c([H])c(C([H])=C([H])c2c([H])c([H])c(N([H])c3nc(nc(n3)N(C([H])([H])C([H])([H])O[H])C([H])([H])C([H])([H])O[H])N([H])c3c([H])c([H])c([H])c([H])c3[H])c([H])c2S([O-])(=O)=O)c(c1[H])S([O-])(=O)=O)N([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])([H])O[H]
disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

CAS information

CAS number:
4193-55-9

Molecular and structural information

Molecular formula:
C40H42N12Na2O10S2
Molecular weight:
960.23
SMILES notation:
OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n1
InChl:
InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;
Structural formula:
Chemical structure