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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 2-[3-(3,4-dimethylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid Traditional Name: 2-[3-(3,4-dimethylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=CC=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=CC=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)C

InChI

InChI=1S/C25H20N2O4S/c1-14-6-7-17(10-15(14)2)16-4-3-5-19(11-16)25-26-21-9-8-18-12-20(32(29,30)31)13-22(28)23(18)24(21)27-25/h3-13,28H,1-2H3,(H,26,27)(H,29,30,31)