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

Systemtic Name: 2-[2-methoxy-3-(4-methylphenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 9-hydroxy-2-[2-methoxy-3-(p-tolyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 9-hydroxy-2-[2-methoxy-3-(4-methylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid IUPAC Name: 9-hydroxy-2-[2-methoxy-3-(4-methylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid Traditional Name: 9-hydroxy-2-[2-methoxy-3-(p-tolyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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