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

Systemtic Name: 2-[4-(4-chlorophenyl)-2-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 2-[4-(4-chlorophenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 2-[4-(4-chlorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid IUPAC Name: 2-[4-(4-chlorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid Traditional Name: 2-[4-(4-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(=C1)C2=CC=C(C=C2)Cl)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O

InChI

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