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

Systemtic Name: disodium 7-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[4-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azo-2-methylphenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,3-disulfonate Formula: C31H24N6Na2O7S2 MolecularWeight: 702.6678

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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.[Na+].[Na+]

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.[Na+].[Na+]

InChI

InChI=1S/C31H26N6O7S2.2Na/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);;/q;2*+1/p-2