2-(2-methoxy-4-naphthalen-1-yl-phenyl)-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid hydrochloride

Systemtic Name: 2-(2-methoxy-4-naphthalen-1-yl-phenyl)-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid hydrochloride Openeye Name: 9-hydroxy-2-[2-methoxy-4-(1-naphthyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid hydrochloride CAS Name: 9-hydroxy-2-[2-methoxy-4-(1-naphthalenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid hydrochloride IUPAC Name: 9-hydroxy-2-(2-methoxy-4-naphthalen-1-ylphenyl)-3H-benzo[e]benzimidazole-5-sulfonic acid hydrochloride Traditional Name: 9-hydroxy-2-[2-methoxy-4-(1-naphthyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid hydrochloride Formula: C28H21ClN2O5S MolecularWeight: 532.99474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC=CC3=CC=CC=C32)C4=NC5=C6C(=C(C=C5N4)S(=O)(=O)O)C=CC=C6O.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC=CC3=CC=CC=C32)C4=NC5=C6C(=C(C=C5N4)S(=O)(=O)O)C=CC=C6O.Cl

InChI

InChI=1S/C28H20N2O5S.ClH/c1-35-24-14-17(19-9-4-7-16-6-2-3-8-18(16)19)12-13-20(24)28-29-22-15-25(36(32,33)34)21-10-5-11-23(31)26(21)27(22)30-28;/h2-15,31H,1H3,(H,29,30)(H,32,33,34);1H