5-(4-methylsulfanylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-methylsulfanylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-methylsulfanylphenyl)-5-oxo-pentanoic acid CAS Name: 5-[4-(methylthio)phenyl]-5-oxopentanoic acid IUPAC Name: 5-(4-methylsulfanylphenyl)-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(methylthio)phenyl]valeric acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-16-10-7-5-9(6-8-10)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)