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Reference substances

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General information

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

No inventory information available

Reference substance information

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
Synonyms
Names:
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

CAS information

CAS number:
85631-88-5

Molecular and structural information

Molecular formula:
C34H27N9O11S3.3Na
Molecular weight:
899.77
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
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+;;;
Structural formula:
Chemical structure