7-phenyl-5-[(4-sulfophenyl)amino]benzo[a]phenazin-7-ium-6-sulfonic acid

Systemtic Name: 7-phenyl-5-[(4-sulfophenyl)amino]benzo[a]phenazin-7-ium-6-sulfonic acid Openeye Name: 7-phenyl-5-(4-sulfoanilino)benzo[a]phenazin-7-ium-6-sulfonic acid CAS Name: 7-phenyl-5-(4-sulfoanilino)-6-benzo[a]phenazin-7-iumsulfonic acid IUPAC Name: 7-phenyl-5-(4-sulfoanilino)benzo[a]phenazin-7-ium-6-sulfonic acid Traditional Name: 7-phenyl-5-(4-sulfoanilino)benzo[a]phenazin-7-ium-6-sulfonic acid Formula: C28H20N3O6S2+ MolecularWeight: 558.6049

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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

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

InChI

InChI=1S/C28H19N3O6S2/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)/p+1