(3S)-3-methyl-5-(4-methylsulfanylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-3-methyl-5-(4-methylsulfanylphenyl)-5-oxidanylidene-pentanoate Openeye Name: (3S)-3-methyl-5-(4-methylsulfanylphenyl)-5-oxo-pentanoate CAS Name: (3S)-3-methyl-5-[4-(methylthio)phenyl]-5-oxopentanoate IUPAC Name: (3S)-3-methyl-5-(4-methylsulfanylphenyl)-5-oxopentanoate Traditional Name: (3S)-5-keto-3-methyl-5-[4-(methylthio)phenyl]valerate Formula: C13H15O3S- MolecularWeight: 251.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)SC)CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC(=O)C1=CC=C(C=C1)SC)CC(=O)[O-]

InChI

InChI=1S/C13H16O3S/c1-9(8-13(15)16)7-12(14)10-3-5-11(17-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)/p-1/t9-/m0/s1