3-oxidanylidene-2-phenylsulfanyl-hexanoic acid

Systemtic Name: 3-oxidanylidene-2-phenylsulfanyl-hexanoic acid Openeye Name: 3-oxo-2-phenylsulfanyl-hexanoic acid CAS Name: 3-oxo-2-(phenylthio)hexanoic acid IUPAC Name: 3-oxo-2-phenylsulfanylhexanoic acid Traditional Name: 3-keto-2-(phenylthio)hexanoic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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