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

Systemtic Name: 2-[3-(4-fluorophenyl)-2-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid Openeye Name: 2-[3-(4-fluorophenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid CAS Name: 2-[3-(4-fluorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid IUPAC Name: 2-[3-(4-fluorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid Traditional Name: 2-[3-(4-fluorophenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid Formula: C24H17FN2O5S MolecularWeight: 464.465583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2=NC3=C4C(=C(C=C3N2)S(=O)(=O)O)C=CC=C4O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=CC=C1C2=NC3=C4C(=C(C=C3N2)S(=O)(=O)O)C=CC=C4O)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H17FN2O5S/c1-32-23-15(13-8-10-14(25)11-9-13)4-2-6-17(23)24-26-18-12-20(33(29,30)31)16-5-3-7-19(28)21(16)22(18)27-24/h2-12,28H,1H3,(H,26,27)(H,29,30,31)