2-[2-methoxy-4-(4-methylphenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride

Systemtic Name: 2-[2-methoxy-4-(4-methylphenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride Openeye Name: 9-hydroxy-2-[2-methoxy-4-(p-tolyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride CAS Name: 9-hydroxy-2-[2-methoxy-4-(4-methylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride IUPAC Name: 9-hydroxy-2-[2-methoxy-4-(4-methylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride Traditional Name: 9-hydroxy-2-[2-methoxy-4-(p-tolyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)OC.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)OC.Cl

InChI

InChI=1S/C25H20N2O5S.ClH/c1-14-3-5-15(6-4-14)16-7-9-19(22(12-16)32-2)25-26-20-10-8-17-11-18(33(29,30)31)13-21(28)23(17)24(20)27-25;/h3-13,28H,1-2H3,(H,26,27)(H,29,30,31);1H