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IUPAC name:
tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

Inventory

EC number:
240-400-4
EC name:
Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
CAS number:
16324-27-9
CAS number:
16324-27-9
Synonyms
Names:
Identifier:
IUPAC name
Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Identifier:
IUPAC name
tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Identifier:
other: SMILES notation
C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)NCCO)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]
Identifier:
other: Molecular formula
C36H36N12O14S4.4Na
Identifier:
other: InChl
InChI=1S/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4/b8-7+;;;;
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[Na+].OCCNC1=NC(NC2=CC(=C(\C=C\C3=CC=C(NC4=NC(NC5=CC=CC(=C5)S([O-])(=O)=O)=NC(NCCO)=N4)C=C3S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=NC(NC2=CC=CC(=C2)S([O-])(=O)=O)=N1
Tetrasodium 2,2'-[(E)-1,2-ethenediyl]bis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]

Molecular and structural information

Molecular formula:
C36H32N12Na4O14S4
Molecular weight:
1 076.93
SMILES notation:
c1cc(cc(c1)S(=O)(=O)[O-])Nc2nc(nc(n2)Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)Nc6cccc(c6)S(=O)(=O)[O-])NCCO)NCCO.[Na+].[Na+].[Na+].[Na+]
InChl:
InChI=1S/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4/b8-7+;;;;
Structural formula:
Chemical structure

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