sodium 7-phenyl-5-[(4-sulfonatophenyl)amino]benzo[a]phenazin-7-ium-3-sulfonate

Systemtic Name: sodium 7-phenyl-5-[(4-sulfonatophenyl)amino]benzo[a]phenazin-7-ium-3-sulfonate Openeye Name: sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonate CAS Name: sodium 7-phenyl-5-(4-sulfonatoanilino)-3-benzo[a]phenazin-7-iumsulfonate IUPAC Name: sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonate Traditional Name: sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonate Formula: C28H18N3NaO6S2 MolecularWeight: 579.57879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C3C=C(C4=C(C3=NC5=CC=CC=C52)C=CC(=C4)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C3C=C(C4=C(C3=NC5=CC=CC=C52)C=CC(=C4)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+]

InChI

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