S-tert-butyl 3-(1-methylcyclohexyl)-3-oxidanylidene-propanethioate

Systemtic Name: S-tert-butyl 3-(1-methylcyclohexyl)-3-oxidanylidene-propanethioate Openeye Name: S-tert-butyl 3-(1-methylcyclohexyl)-3-oxo-propanethioate CAS Name: 3-(1-methylcyclohexyl)-3-oxopropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-(1-methylcyclohexyl)-3-oxopropanethioate Traditional Name: 3-keto-3-(1-methylcyclohexyl)propanethioic acid S-tert-butyl ester Formula: C14H24O2S MolecularWeight: 256.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)CC(=O)SC(C)(C)C

Isomeric SMILES

CC1(CCCCC1)C(=O)CC(=O)SC(C)(C)C

InChI

InChI=1S/C14H24O2S/c1-13(2,3)17-12(16)10-11(15)14(4)8-6-5-7-9-14/h5-10H2,1-4H3