sodium; methanesulfonate; 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzenesulfonate

Systemtic Name: sodium; methanesulfonate; 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzenesulfonate Openeye Name: sodium; methanesulfonate; 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzenesulfonate CAS Name: sodium; methanesulfonate; 4-[(7-phenyl-5-benzo[a]phenazin-7-iumyl)amino]benzenesulfonate IUPAC Name: sodium; methanesulfonate; 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzenesulfonate Traditional Name: sodium 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]besylate mesylate Formula: C29H22N3NaO6S2 MolecularWeight: 595.62125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19N3O3S.CH4O3S.Na/c32-35(33,34)21-16-14-19(15-17-21)29-25-18-27-28(23-11-5-4-10-22(23)25)30-24-12-6-7-13-26(24)31(27)20-8-2-1-3-9-20;1-5(2,3)4;/h1-18H,(H,32,33,34);1H3,(H,2,3,4);/q;;+1/p-1