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Reference substances

Currently viewing:
IUPAC name:
trisodium 4-amino-3-{[4-({4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate

Inventory

EC number:
288-038-6
EC name:
Trisodium 4-amino-3-[[4-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
CAS number:
85631-88-5
CAS number:
85631-88-5
Synonyms
Names:
Identifier:
IUPAC name
2,​7-​Naphthalenedisulfoni​c acid, 4-​amino-​3-​[2-​[4-​[[4-​[2-​(2-​amino-​4-​hydroxyphenyl)​diazenyl]​phenyl]​amino]​-​3-​sulfophenyl]​diazenyl]​-​5-​hydroxy-​6-​(2-​phenyldiazenyl)​-​, sodium salt (1:3)
Identifier:
IUPAC name
Trisodium 4-amino-3-[[4-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
Identifier:
IUPAC name
trisodium 4-amino-3-((4-((4-((2-amino-4-hydroxyphenyl)diazenyl)phenyl)amino)-3-sulfonatophenyl)diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate
Identifier:
IUPAC name
trisodium 4amino-3-[(E)-2-[4-({4-[(E)-2-(2-amino-4-hydroxyphenyl)diazen-1-yl]phenyl}amino)-3-sulfophenyl]diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate
Identifier:
IUPAC name
trisodium;4-amino-3-[(E)-[4-[4-[(E)-(2-amino-4-hydroxy-phenyl)azo]anilino]-3-sulfonato-phenyl]azo]-5-hydroxy-6-[(E)-phenylazo]naphthalene-2,7-disulfonate
Identifier:
other: Molecular formula
C34H24N9Na3O11S3
Identifier:
other: Molecular formula
C34H24N9O11S3.3Na
Identifier:
other: InChl
InChI=1S/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b41-38+,42-40+,43-39+;;;
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].Oc6ccc(/N=N/c1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)/N=N/c5c(cc4cc(c(/N=N/c3ccccc3)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O)c(N)c6

Molecular and structural information

Molecular formula:
C34H27N9O11S3.3Na
Molecular weight:
899.772
SMILES notation:
[Na+].[Na+].[Na+].Nc6cc(O)ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5
InChl:
InChI=1/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3
Structural formula:
Chemical structure

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