4-oxidanylidene-2-phenylsulfanyl-pentanoic acid

Systemtic Name: 4-oxidanylidene-2-phenylsulfanyl-pentanoic acid Openeye Name: 4-oxo-2-phenylsulfanyl-pentanoic acid CAS Name: 4-oxo-2-(phenylthio)pentanoic acid IUPAC Name: 4-oxo-2-phenylsulfanylpentanoic acid Traditional Name: 4-keto-2-(phenylthio)valeric acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3S/c1-8(12)7-10(11(13)14)15-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)