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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-2-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid CAS Name: 2-[3-(3,4-dimethylphenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid Traditional Name: 2-[3-(3,4-dimethylphenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-5-sulfonic acid Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=CC=C2)C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=CC=C2)C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O)OC)C

InChI

InChI=1S/C26H22N2O5S/c1-14-10-11-16(12-15(14)2)17-6-4-8-19(25(17)33-3)26-27-20-13-22(34(30,31)32)18-7-5-9-21(29)23(18)24(20)28-26/h4-13,29H,1-3H3,(H,27,28)(H,30,31,32)