5-(2-methylsulfanylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-methylsulfanylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methylsulfanylphenyl)-5-oxo-pentanoic acid CAS Name: 5-[2-(methylthio)phenyl]-5-oxopentanoic acid IUPAC Name: 5-(2-methylsulfanylphenyl)-5-oxopentanoic acid Traditional Name: 5-keto-5-[2-(methylthio)phenyl]valeric acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)CCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)CCCC(=O)O

InChI

InChI=1S/C12H14O3S/c1-16-11-7-3-2-5-9(11)10(13)6-4-8-12(14)15/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)