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

Systemtic Name: 2-[2-methoxy-3-(2-methylphenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid Openeye Name: 9-hydroxy-2-[2-methoxy-3-(o-tolyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid CAS Name: 9-hydroxy-2-[2-methoxy-3-(2-methylphenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid IUPAC Name: 9-hydroxy-2-[2-methoxy-3-(2-methylphenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid Traditional Name: 9-hydroxy-2-[2-methoxy-3-(o-tolyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid Formula: C25H20N2O5S MolecularWeight: 460.5017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=CC=C2)C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=CC=C2)C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O)OC

InChI

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