(3-methyl-2-sulfanylidene-butyl) 6,6-dimethyloxane-2-carboxylate

Systemtic Name: (3-methyl-2-sulfanylidene-butyl) 6,6-dimethyloxane-2-carboxylate Openeye Name: (3-methyl-2-thioxo-butyl) 6,6-dimethyltetrahydropyran-2-carboxylate CAS Name: 6,6-dimethyl-2-oxanecarboxylic acid (3-methyl-2-sulfanylidenebutyl) ester IUPAC Name: (3-methyl-2-sulfanylidenebutyl) 6,6-dimethyloxane-2-carboxylate Traditional Name: 6,6-dimethyltetrahydropyran-2-carboxylic acid (3-methyl-2-thioxo-butyl) ester Formula: C13H22O3S MolecularWeight: 258.37698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3S/c1-9(2)11(17)8-15-12(14)10-6-5-7-13(3,4)16-10/h9-10H,5-8H2,1-4H3