2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzoic acid

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzoic acid Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-benzoic acid CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3-methylbenzoic acid IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-methylbenzoic acid Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-3-methyl-benzoic acid Formula: C16H13FO3S MolecularWeight: 304.336023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SCC(=O)C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1SCC(=O)C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H13FO3S/c1-10-3-2-4-13(16(19)20)15(10)21-9-14(18)11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,19,20)