7-[(3-aminophenyl)carbonylamino]-3-[[2-methyl-4-[(2-methyl-4-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: 7-[(3-aminophenyl)carbonylamino]-3-[[2-methyl-4-[(2-methyl-4-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: 7-[(3-aminobenzoyl)amino]-3-[[2-methyl-4-(2-methyl-4-sulfonato-phenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: 7-[[(3-aminophenyl)-oxomethyl]amino]-3-[[2-methyl-4-(2-methyl-4-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: 7-[(3-aminobenzoyl)amino]-3-[[2-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: 7-[(3-aminobenzoyl)amino]-4-keto-3-[[2-methyl-4-(2-methyl-4-sulfonato-phenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate Formula: C31H24N6O8S2-2 MolecularWeight: 672.68766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])C)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC(=O)C5=CC(=CC=C5)N)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])C)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC(=O)C5=CC(=CC=C5)N)S(=O)(=O)[O-]

InChI

InChI=1S/C31H26N6O8S2/c1-17-12-23(34-35-27-11-8-24(13-18(27)2)46(40,41)42)7-10-26(17)36-37-29-28(47(43,44)45)16-20-15-22(6-9-25(20)30(29)38)33-31(39)19-4-3-5-21(32)14-19/h3-16,36H,32H2,1-2H3,(H,33,39)(H,40,41,42)(H,43,44,45)/p-2