2-[[2-methyl-6-(trifluoromethyloxy)-1H-indol-3-yl]sulfanyl]benzoic acid

Systemtic Name: 2-[[2-methyl-6-(trifluoromethyloxy)-1H-indol-3-yl]sulfanyl]benzoic acid Openeye Name: 2-[[2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]sulfanyl]benzoic acid CAS Name: 2-[[2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]thio]benzoic acid IUPAC Name: 2-[[2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]sulfanyl]benzoic acid Traditional Name: 2-[[2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]thio]benzoic acid Formula: C17H12F3NO3S MolecularWeight: 367.34229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=C(C=C2)OC(F)(F)F)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)C=C(C=C2)OC(F)(F)F)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H12F3NO3S/c1-9-15(25-14-5-3-2-4-12(14)16(22)23)11-7-6-10(8-13(11)21-9)24-17(18,19)20/h2-8,21H,1H3,(H,22,23)