9-[(2-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-4-(trioxidanylsulfanyl)benzo[a]phenazin-7-ium-10-sulfonate

Systemtic Name: 9-[(2-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-4-(trioxidanylsulfanyl)benzo[a]phenazin-7-ium-10-sulfonate Openeye Name: 5-anilino-9-(2-methoxyanilino)-7-phenyl-4-(trioxidanylsulfanyl)benzo[a]phenazin-7-ium-10-sulfonate CAS Name: 5-anilino-9-(2-methoxyanilino)-7-phenyl-4-(trioxidanylthio)-10-benzo[a]phenazin-7-iumsulfonate IUPAC Name: 5-anilino-9-(2-methoxyanilino)-7-phenyl-4-(trioxidanylsulfanyl)benzo[a]phenazin-7-ium-10-sulfonate Traditional Name: 5-anilino-9-(o-anisidino)-7-phenyl-4-(trioxidanylthio)benzo[a]phenazin-7-ium-10-sulfonate Formula: C35H26N4O7S2 MolecularWeight: 678.73354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=C3C(=C2)[N+](=C4C=C(C5=C(C4=N3)C=CC=C5SOOO)NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=C3C(=C2)[N+](=C4C=C(C5=C(C4=N3)C=CC=C5SOOO)NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)[O-]

InChI

InChI=1S/C35H26N4O7S2/c1-44-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(41,42)43)38-35-24-15-10-18-32(47-46-45-40)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23/h2-21H,1H3,(H3,36,37,40,41,42,43)