3-methyl-5-(2-methylsulfanylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-methyl-5-(2-methylsulfanylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 3-methyl-5-(2-methylsulfanylphenyl)-5-oxo-pentanoic acid CAS Name: 3-methyl-5-[2-(methylthio)phenyl]-5-oxopentanoic acid IUPAC Name: 3-methyl-5-(2-methylsulfanylphenyl)-5-oxopentanoic acid Traditional Name: 5-keto-3-methyl-5-[2-(methylthio)phenyl]valeric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=C1SC)CC(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=CC=C1SC)CC(=O)O

InChI

InChI=1S/C13H16O3S/c1-9(8-13(15)16)7-11(14)10-5-3-4-6-12(10)17-2/h3-6,9H,7-8H2,1-2H3,(H,15,16)