2-[4-(2-methylsulfanylethanoyl)phenyl]benzoic acid

Systemtic Name: 2-[4-(2-methylsulfanylethanoyl)phenyl]benzoic acid Openeye Name: 2-[4-(2-methylsulfanylacetyl)phenyl]benzoic acid CAS Name: 2-[4-[2-(methylthio)-1-oxoethyl]phenyl]benzoic acid IUPAC Name: 2-[4-(2-methylsulfanylacetyl)phenyl]benzoic acid Traditional Name: 2-[4-[2-(methylthio)acetyl]phenyl]benzoic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CSCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14O3S/c1-20-10-15(17)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16(18)19/h2-9H,10H2,1H3,(H,18,19)