7-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,3-disulfonic acid CAS Name: 7-[4-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azo-2-methylphenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,3-disulfonic acid Formula: C31H26N6O7S2 MolecularWeight: 658.70414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C31H26N6O7S2/c1-18-13-23(33-31(38)20-3-6-22(32)7-4-20)9-11-28(18)36-34-24-10-12-29(19(2)14-24)37-35-25-8-5-21-15-26(45(39,40)41)17-30(27(21)16-25)46(42,43)44/h3-17H,32H2,1-2H3,(H,33,38)(H,39,40,41)(H,42,43,44)