disodium 9-[(3-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonate

Systemtic Name: disodium 9-[(3-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonate Openeye Name: disodium 5-anilino-9-(3-methoxyanilino)-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate CAS Name: disodium 5-anilino-9-(3-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate IUPAC Name: disodium 5-anilino-9-(3-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate Traditional Name: disodium 5-anilino-9-(m-anisidino)-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate Formula: C35H25N4Na2O7S2+ MolecularWeight: 723.70514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C=C3C(=C2)[N+](=C4C=C(C5=C(C4=N3)C=CC=C5S(=O)(=O)[O-])NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C=C3C(=C2)[N+](=C4C=C(C5=C(C4=N3)C=CC=C5S(=O)(=O)[O-])NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)[O-].[Na+].[Na+]

InChI

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