9-oxidanyl-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride

Systemtic Name: 9-oxidanyl-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride Openeye Name: 9-hydroxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride CAS Name: 9-hydroxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride IUPAC Name: 9-hydroxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride Traditional Name: 9-hydroxy-2-[3-[3-(trifluoromethyl)benzyl]oxyphenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid hydrochloride Formula: C25H18ClF3N2O5S MolecularWeight: 550.93403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)COC2=CC=CC(=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O.Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)COC2=CC=CC(=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O.Cl

InChI

InChI=1S/C25H17F3N2O5S.ClH/c26-25(27,28)17-5-1-3-14(9-17)13-35-18-6-2-4-16(10-18)24-29-20-8-7-15-11-19(36(32,33)34)12-21(31)22(15)23(20)30-24;/h1-12,31H,13H2,(H,29,30)(H,32,33,34);1H