2-sulfanylidenebutyl 6,6-dimethyloxane-2-carboxylate

Systemtic Name: 2-sulfanylidenebutyl 6,6-dimethyloxane-2-carboxylate Openeye Name: 2-thioxobutyl 6,6-dimethyltetrahydropyran-2-carboxylate CAS Name: 6,6-dimethyl-2-oxanecarboxylic acid 2-sulfanylidenebutyl ester IUPAC Name: 2-sulfanylidenebutyl 6,6-dimethyloxane-2-carboxylate Traditional Name: 6,6-dimethyltetrahydropyran-2-carboxylic acid 2-thioxobutyl ester Formula: C12H20O3S MolecularWeight: 244.3504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)COC(=O)C1CCCC(O1)(C)C

Isomeric SMILES

CCC(=S)COC(=O)C1CCCC(O1)(C)C

InChI

InChI=1S/C12H20O3S/c1-4-9(16)8-14-11(13)10-6-5-7-12(2,3)15-10/h10H,4-8H2,1-3H3