2-[4-(3-chlorophenyl)-2-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid

Systemtic Name: 2-[4-(3-chlorophenyl)-2-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(3-chlorophenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid CAS Name: 2-[4-(3-chlorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(3-chlorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(3-chlorophenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid Formula: C24H17ClN2O5S MolecularWeight: 480.92018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=CC=C2)Cl)C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=CC=C2)Cl)C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O

InChI

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