methyl 2,6,6-trimethyl-4-oxidanylidene-3-sulfanylidene-heptanoate

Systemtic Name: methyl 2,6,6-trimethyl-4-oxidanylidene-3-sulfanylidene-heptanoate Openeye Name: methyl 2,6,6-trimethyl-4-oxo-3-thioxo-heptanoate CAS Name: 2,6,6-trimethyl-4-oxo-3-sulfanylideneheptanoic acid methyl ester IUPAC Name: methyl 2,6,6-trimethyl-4-oxo-3-sulfanylideneheptanoate Traditional Name: 4-keto-2,6,6-trimethyl-3-thioxo-enanthic acid methyl ester Formula: C11H18O3S MolecularWeight: 230.32382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18O3S/c1-7(10(13)14-5)9(15)8(12)6-11(2,3)4/h7H,6H2,1-5H3