5-methyl-2-(2-oxidanylidenepropylsulfanyl)benzoic acid

Systemtic Name: 5-methyl-2-(2-oxidanylidenepropylsulfanyl)benzoic acid Openeye Name: 2-acetonylsulfanyl-5-methyl-benzoic acid CAS Name: 5-methyl-2-(2-oxopropylthio)benzoic acid IUPAC Name: 5-methyl-2-(2-oxopropylsulfanyl)benzoic acid Traditional Name: 2-(acetonylthio)-5-methyl-benzoic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)C)C(=O)O

InChI

InChI=1S/C11H12O3S/c1-7-3-4-10(15-6-8(2)12)9(5-7)11(13)14/h3-5H,6H2,1-2H3,(H,13,14)