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

Systemtic Name: sodium 7-phenyl-5,9-bis(phenylazanyl)benzo[a]phenazin-7-ium-4,10-disulfonate Openeye Name: sodium 5,9-dianilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate CAS Name: sodium 5,9-dianilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate IUPAC Name: sodium 5,9-dianilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate Traditional Name: sodium 5,9-dianilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate Formula: C34H23N4NaO6S2 MolecularWeight: 670.68939

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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=CC=C6)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=CC=C6)C7=CC=CC=C7.[Na+]

InChI

InChI=1S/C34H24N4O6S2.Na/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24;/h1-21H,(H3,35,36,39,40,41,42,43,44);/q;+1/p-1