5-(4-methylsulfanylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: 5-(4-methylsulfanylphenyl)-5-oxidanylidene-pentanoate Openeye Name: 5-(4-methylsulfanylphenyl)-5-oxo-pentanoate CAS Name: 5-[4-(methylthio)phenyl]-5-oxopentanoate IUPAC Name: 5-(4-methylsulfanylphenyl)-5-oxopentanoate Traditional Name: 5-keto-5-[4-(methylthio)phenyl]valerate Formula: C12H13O3S- MolecularWeight: 237.29482

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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)/p-1