methyl 5-(2,2-dimethyl-5-oxidanylidene-1,3-dithian-4-yl)pentanoate

Systemtic Name: methyl 5-(2,2-dimethyl-5-oxidanylidene-1,3-dithian-4-yl)pentanoate Openeye Name: methyl 5-(2,2-dimethyl-5-oxo-1,3-dithian-4-yl)pentanoate CAS Name: 5-(2,2-dimethyl-5-oxo-1,3-dithian-4-yl)pentanoic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethyl-5-oxo-1,3-dithian-4-yl)pentanoate Traditional Name: 5-(5-keto-2,2-dimethyl-1,3-dithian-4-yl)valeric acid methyl ester Formula: C12H20O3S2 MolecularWeight: 276.4154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SCC(=O)C(S1)CCCCC(=O)OC)C

Isomeric SMILES

CC1(SCC(=O)C(S1)CCCCC(=O)OC)C

InChI

InChI=1S/C12H20O3S2/c1-12(2)16-8-9(13)10(17-12)6-4-5-7-11(14)15-3/h10H,4-8H2,1-3H3