(3E)-5-azanyl-3-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-7-methyl-4-oxidanylidene-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-5-azanyl-3-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-7-methyl-4-oxidanylidene-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid Openeye Name: (3E)-5-amino-3-[(5-amino-2-sulfo-phenyl)hydrazono]-7-methyl-4-oxo-6-(2-sulfophenyl)azo-naphthalene-2-sulfonic acid CAS Name: (3E)-5-amino-3-[(5-amino-2-sulfophenyl)hydrazinylidene]-7-methyl-4-oxo-6-(2-sulfophenyl)azo-2-naphthalenesulfonic acid IUPAC Name: (3E)-5-amino-3-[(5-amino-2-sulfophenyl)hydrazinylidene]-7-methyl-4-oxo-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid Traditional Name: (3E)-5-amino-3-[(5-amino-2-sulfo-phenyl)hydrazono]-4-keto-7-methyl-6-(2-sulfophenyl)azo-naphthalene-2-sulfonic acid Formula: C23H20N6O10S3 MolecularWeight: 636.6341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C=C(C(=NNC3=C(C=CC(=C3)N)S(=O)(=O)O)C2=O)S(=O)(=O)O)N)N=NC4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C=C(/C(=N/NC3=C(C=CC(=C3)N)S(=O)(=O)O)/C2=O)S(=O)(=O)O)N)N=NC4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C23H20N6O10S3/c1-11-8-12-9-18(42(37,38)39)22(29-27-15-10-13(24)6-7-17(15)41(34,35)36)23(30)19(12)20(25)21(11)28-26-14-4-2-3-5-16(14)40(31,32)33/h2-10,27H,24-25H2,1H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b28-26?,29-22-