3,3-dimethyl-4-sulfanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-4-sulfanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-4-thioxo-pentanoic acid CAS Name: 3,3-dimethyl-4-sulfanylidenepentanoic acid IUPAC Name: 3,3-dimethyl-4-sulfanylidenepentanoic acid Traditional Name: 3,3-dimethyl-4-thioxo-valeric acid Formula: C7H12O2S MolecularWeight: 160.23398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(C)(C)CC(=O)O

Isomeric SMILES

CC(=S)C(C)(C)CC(=O)O

InChI

InChI=1S/C7H12O2S/c1-5(10)7(2,3)4-6(8)9/h4H2,1-3H3,(H,8,9)