sodium 9-[(2-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonate

Systemtic Name: sodium 9-[(2-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonate Openeye Name: sodium 5-anilino-9-(2-methoxyanilino)-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate CAS Name: sodium 5-anilino-9-(2-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate IUPAC Name: sodium 5-anilino-9-(2-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate Traditional Name: sodium 5-anilino-9-(o-anisidino)-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate Formula: C35H25N4NaO7S2 MolecularWeight: 700.71537

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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=C5S(=O)(=O)[O-])NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=CC=C1NC2=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+]

InChI

InChI=1S/C35H26N4O7S2.Na/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)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,(H3,36,37,40,41,42,43,44,45);/q;+1/p-1