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

Systemtic Name: 9-[(4-aminophenyl)amino]-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonic acid Openeye Name: 9-(4-aminoanilino)-5-anilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonic acid CAS Name: 9-(4-aminoanilino)-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonic acid IUPAC Name: 9-(4-aminoanilino)-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonic acid Traditional Name: 9-(4-aminoanilino)-5-anilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonic acid Formula: C34H26N5O6S2+ MolecularWeight: 664.73014

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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

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

InChI

InChI=1S/C34H25N5O6S2/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)/p+1