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Reference substances

Reference substances

IUPAC name:
trisodium 5-[(E)-2-(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-2-sulfophenyl}amino)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}phenyl)diazen-1-yl]-2-hydroxybenzoate

Inventory

EC number:
229-309-0
EC name:
Trisodium 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate
CAS number:
6471-09-6
CAS number:
6471-09-6
Synonyms
Names:
Benzoic acid, 5-[[4-[[4-[[4-[(4-amino-9, 10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino ]-2-sulfophenyl]amino]-6-(phenylamino)-1,3,5-triazi n-2-yl]amino]phenyl]azo]-2-hydroxy-, trisodium salt
Benzoic acid, 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]-2-hydroxy-, trisodium salt
trisodium 5-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2-sulfonatophenyl}amino)-6-anilino-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]-2-hydroxybenzoate

Molecular and structural information

Molecular formula:
C42H30N10O11S2.3Na
Molecular weight:
980.823
SMILES notation:
[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S([O-])(=O)=O)cc7S([O-])(=O)=O)n8
InChl:
InChI=1/C42H30N10O11S2.3Na/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57;;;/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50);;;/q;3*+1/p-3
Structural formula:
Chemical structure

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