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Reference substances

Reference substances

Currently viewing:
IUPAC name:
NA

Inventory

EC number:
233-439-3
EC name:
Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate
CAS number:
10169-02-5
CAS number:
10169-02-5
Synonyms
Names:
[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[(2-hydroxy-1-naphthalenyl)azo]-, disodium salt
Identifier:
IUPAC name
disodium 5-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-{4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-sulfonatophenyl}benzene-1-sulfonate
Identifier:
IUPAC name
Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate
Identifier:
IUPAC name
disodium 4,4'-bis[(2-hydroxy-1-naphthyl)diazenyl]biphenyl-2,2'-disulfonate
Identifier:
IUPAC name
disodium 5-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-{4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-sulfonatophenyl}benzene-1-sulfonate
Identifier:
IUPAC name
disodium, 5-[(E)-(2-hydroxy-1-naphthyl)azo]-2-[4-[(E)-(2-hydroxy-1-naphthyl)azo]-2-sulfonato-phenyl]benzenesulfonate
Identifier:
Colour Index
Acid Red 097
Identifier:
other: Molecular formula
C32H20N4O8S2.2Na
Identifier:
other: Molecular formula
C32H22N4O8S2.2Na
Identifier:
other: InChl
InChI=1/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
Identifier:
other: InChl
InChI=1/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-33+,36-34+;;
Identifier:
other: InChl
InChI=1S/C32H22N4O8S2/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38/h1-18,37-38H,(H,39,40,41)(H,42,43,44)/p-2/b35-33+,36-34+
Identifier:
other: SMILES notation
Oc1ccc2ccccc2c1N=Nc3ccc(c4ccc(cc4S(=O)(=O)[O-])N=Nc5c(O)ccc6ccccc56)c(c3)S(=O)(=O)[O-]
Identifier:
other: SMILES notation
[Na+].[Na+].O=S([O-])(=O)c4cc(ccc4c3ccc(/N=N/c1c2ccccc2ccc1O)cc3S([O-])(=O)=O)/N=N/c5c6ccccc6ccc5O
Identifier:
other: SMILES notation
[Na+].[Na+].OC1=C(\N=N\C2=CC(=C(C=C2)C2=CC=C(C=C2S([O-])(=O)=O)\N=N\C2=C(O)C=CC3=C2C=CC=C3)S([O-])(=O)=O)C2=C(C=CC=C2)C=C1
Identifier:
other: SMILES notation
[Na+].[Na+].Oc6ccc1ccccc1c6N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=Nc4c5ccccc5ccc4O
disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate

Molecular and structural information

Molecular formula:
C32H20N4Na2O8S2
Molecular weight:
ca. 698.63
SMILES notation:
[Na+].[Na+].Oc6ccc1ccccc1c6/N=N/c2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)/N=N/c4c5ccccc5ccc4O
InChl:
InChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-33+,36-34+;;
Structural formula:
Chemical structure

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