6-(4-methylsulfanylphenyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(4-methylsulfanylphenyl)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-methylsulfanylphenyl)-6-oxo-hexanoic acid CAS Name: 6-[4-(methylthio)phenyl]-6-oxohexanoic acid IUPAC Name: 6-(4-methylsulfanylphenyl)-6-oxohexanoic acid Traditional Name: 6-keto-6-[4-(methylthio)phenyl]hexanoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCCCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCCCC(=O)O

InChI

InChI=1S/C13H16O3S/c1-17-11-8-6-10(7-9-11)12(14)4-2-3-5-13(15)16/h6-9H,2-5H2,1H3,(H,15,16)