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

Systemtic Name: sodium 9-[(4-aminophenyl)amino]-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonate Openeye Name: sodium 9-(4-aminoanilino)-5-anilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate CAS Name: sodium 9-(4-aminoanilino)-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate IUPAC Name: sodium 9-(4-aminoanilino)-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate Traditional Name: sodium 9-(4-aminoanilino)-5-anilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate Formula: C34H24N5NaO6S2 MolecularWeight: 685.70403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=[N+](C4=CC(=C(C=C4N=C3C5=C2C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=C(C=C6)N)C7=CC=CC=C7.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=[N+](C4=CC(=C(C=C4N=C3C5=C2C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=C(C=C6)N)C7=CC=CC=C7.[Na+]

InChI

InChI=1S/C34H25N5O6S2.Na/c35-21-14-16-23(17-15-21)36-27-18-29-26(20-32(27)47(43,44)45)38-34-25-12-7-13-31(46(40,41)42)33(25)28(37-22-8-3-1-4-9-22)19-30(34)39(29)24-10-5-2-6-11-24;/h1-20H,(H5,35,36,37,38,40,41,42,43,44,45);/q;+1/p-1