Acid black 94

trisodium;(6Z)-4-amino-3-[[4-[4-[(2E)-2-[2-(2-methylanilino)-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinyl]phenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Also Known As: Acid black 94|C.I. Acid Black 94|EINECS 228-784-1|EINECS 308-870-6|C.I. Acid Black 94, trisodium salt|2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-((4'-((4-hydroxy-2-((2-methylphenyl)amino)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-6-((4-sulfophenyl)azo)-, trisodium salt|2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-(2-(4'-(2-(4-hydroxy-2-((2-methylphenyl)amino)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-6-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:3)|2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[[4'-[[4-hydroxy-2-[(2-methylphenyl)amino]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-6-[(4-sulfophenyl)azo]-, trisodium salt|4-Amino-5-hydroxy-3-((4'-((4-hydroxy-2-((o-tolyl)amino)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt|4-amino-5-hydroxy-3-[[4'-[[4-hydroxy-2-[(o-tolyl)amino]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid, sodium salt|Trisodium 4-amino-5-hydroxy-3-[[4'-[[4-hydroxy-2-[(o-tolyl)amino]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

Molecular Formula	C41H29N8Na3O11S3
Molecular Weight	974.0811 g/mol
LogP	-3.06688
Topological Polar Surface Area	317.29 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	19
Rotatable Bonds	12
Exact Mass	974.0811
Monoisotopic Mass	974.0811
Heavy Atoms	66
Complexity	3271.2793

Chemical Identifiers

CAS Number	98705-48-7
SMILES	CC1=CC=CC=C1NC\2=CC(=O)C=C/C2=N\NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C=C6C=C(/C(=N\NC7=CC=C(C=C7)S(=O)(=O)[O-])/C(=O)C6=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]