4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]-3-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]-3-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]-3-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 4-[(7-phenyl-5-benzo[a]phenazin-7-iumyl)amino]-3-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]-3-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]-3-(trioxidanylthio)besylic acid Formula: C28H20N3O6S2+ MolecularWeight: 558.6049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C3C=C(C4=CC=CC=C4C3=NC5=CC=CC=C52)NC6=C(C=C(C=C6)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C3C=C(C4=CC=CC=C4C3=NC5=CC=CC=C52)NC6=C(C=C(C=C6)S(=O)(=O)O)SOOO

InChI

InChI=1S/C28H19N3O6S2/c32-36-37-38-27-16-19(39(33,34)35)14-15-23(27)29-24-17-26-28(21-11-5-4-10-20(21)24)30-22-12-6-7-13-25(22)31(26)18-8-2-1-3-9-18/h1-17H,(H2,32,33,34,35)/p+1