4-methyl-3-oxidanylidene-4-phenylsulfanyl-pentanoic acid

Systemtic Name: 4-methyl-3-oxidanylidene-4-phenylsulfanyl-pentanoic acid Openeye Name: 4-methyl-3-oxo-4-phenylsulfanyl-pentanoic acid CAS Name: 4-methyl-3-oxo-4-(phenylthio)pentanoic acid IUPAC Name: 4-methyl-3-oxo-4-phenylsulfanylpentanoic acid Traditional Name: 3-keto-4-methyl-4-(phenylthio)valeric acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CC(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)CC(=O)O)SC1=CC=CC=C1

InChI

InChI=1S/C12H14O3S/c1-12(2,10(13)8-11(14)15)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)