sodium 7-phenyl-5-[(4-sulfonatophenyl)amino]benzo[a]phenazin-7-ium-6-sulfonate

Systemtic Name: sodium 7-phenyl-5-[(4-sulfonatophenyl)amino]benzo[a]phenazin-7-ium-6-sulfonate Openeye Name: sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-6-sulfonate CAS Name: sodium 7-phenyl-5-(4-sulfonatoanilino)-6-benzo[a]phenazin-7-iumsulfonate IUPAC Name: sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-6-sulfonate Traditional Name: sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-6-sulfonate Formula: C28H18N3NaO6S2 MolecularWeight: 579.57879

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=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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-])S(=O)(=O)[O-].[Na+]

InChI

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