2-(1-ethylsulfanyl-1-oxidanylidene-propan-2-yl)-3,3-dimethyl-pentanoic acid

Systemtic Name: 2-(1-ethylsulfanyl-1-oxidanylidene-propan-2-yl)-3,3-dimethyl-pentanoic acid Openeye Name: 2-(2-ethylsulfanyl-1-methyl-2-oxo-ethyl)-3,3-dimethyl-pentanoic acid CAS Name: 2-[1-(ethylthio)-1-oxopropan-2-yl]-3,3-dimethylpentanoic acid IUPAC Name: 2-(1-ethylsulfanyl-1-oxopropan-2-yl)-3,3-dimethylpentanoic acid Traditional Name: 2-[2-(ethylthio)-2-keto-1-methyl-ethyl]-3,3-dimethyl-valeric acid Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C(C)C(=O)SCC)C(=O)O

Isomeric SMILES

CCC(C)(C)C(C(C)C(=O)SCC)C(=O)O

InChI

InChI=1S/C12H22O3S/c1-6-12(4,5)9(10(13)14)8(3)11(15)16-7-2/h8-9H,6-7H2,1-5H3,(H,13,14)