2-ethanoylsulfanyl-4,4-dimethyl-pentanoic acid

Systemtic Name: 2-ethanoylsulfanyl-4,4-dimethyl-pentanoic acid Openeye Name: 2-acetylsulfanyl-4,4-dimethyl-pentanoic acid CAS Name: 2-(acetylthio)-4,4-dimethylpentanoic acid IUPAC Name: 2-acetylsulfanyl-4,4-dimethylpentanoic acid Traditional Name: 2-(acetylthio)-4,4-dimethyl-valeric acid Formula: C9H16O3S MolecularWeight: 204.28654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SC(CC(C)(C)C)C(=O)O

InChI

InChI=1S/C9H16O3S/c1-6(10)13-7(8(11)12)5-9(2,3)4/h7H,5H2,1-4H3,(H,11,12)