2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-methoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-methoxy-5-oxo-pentanoic acid CAS Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-5-methoxy-5-oxopentanoic acid IUPAC Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-methoxy-5-oxopentanoic acid Traditional Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-5-keto-5-methoxy-valeric acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(CCC(=O)OC)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(CCC(=O)OC)C(=O)O)C

InChI

InChI=1S/C15H20O4S/c1-10-4-6-13(8-11(10)2)20-9-12(15(17)18)5-7-14(16)19-3/h4,6,8,12H,5,7,9H2,1-3H3,(H,17,18)