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

Systemtic Name: 2-[3-(3-chlorophenyl)-2-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 2-[3-(3-chlorophenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 2-[3-(3-chlorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid IUPAC Name: 2-[3-(3-chlorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid Traditional Name: 2-[3-(3-chlorophenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid Formula: C24H17ClN2O5S MolecularWeight: 480.92018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2=NC3=C(N2)C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=C(C=CC=C1C2=NC3=C(N2)C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H17ClN2O5S/c1-32-23-17(13-4-2-5-15(25)10-13)6-3-7-18(23)24-26-19-9-8-14-11-16(33(29,30)31)12-20(28)21(14)22(19)27-24/h2-12,28H,1H3,(H,26,27)(H,29,30,31)