disodium (3E)-5-azanyl-6-[(4-methylphenyl)diazenyl]-3-[(4-nitrophenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3E)-5-azanyl-6-[(4-methylphenyl)diazenyl]-3-[(4-nitrophenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3E)-5-amino-3-[(4-nitrophenyl)hydrazono]-7-oxidoperoxysulfanyl-4-oxo-6-(p-tolylazo)naphthalene-2-sulfonate CAS Name: disodium (3E)-5-amino-6-(4-methylphenyl)azo-3-[(4-nitrophenyl)hydrazinylidene]-7-(oxidodioxythio)-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3E)-5-amino-6-[(4-methylphenyl)diazenyl]-3-[(4-nitrophenyl)hydrazinylidene]-7-oxidoperoxysulfanyl-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3E)-5-amino-4-keto-3-[(4-nitrophenyl)hydrazono]-7-(oxidoperoxythio)-6-(p-tolylazo)naphthalene-2-sulfonate Formula: C23H16N6Na2O9S2 MolecularWeight: 630.51748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C(=NNC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C3=C2N)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C(C=C3C=C(/C(=N/NC4=CC=C(C=C4)[N+](=O)[O-])/C(=O)C3=C2N)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C23H18N6O9S2.2Na/c1-12-2-4-14(5-3-12)25-27-21-17(39-38-37-33)10-13-11-18(40(34,35)36)22(23(30)19(13)20(21)24)28-26-15-6-8-16(9-7-15)29(31)32;;/h2-11,26,33H,24H2,1H3,(H,34,35,36);;/q;2*+1/p-2/b27-25?,28-22-;;