6-oxidanylidene-6-(phenylmethylsulfanyl)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-(phenylmethylsulfanyl)hexanoic acid Openeye Name: 6-benzylsulfanyl-6-oxo-hexanoic acid CAS Name: 6-oxo-6-(phenylmethylthio)hexanoic acid IUPAC Name: 6-benzylsulfanyl-6-oxohexanoic acid Traditional Name: 6-(benzylthio)-6-keto-hexanoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)CCCCC(=O)O

InChI

InChI=1S/C13H16O3S/c14-12(15)8-4-5-9-13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,15)