ethyl 4-[4,5-bis(oxidanyl)-1,3-dithiolan-2-ylidene]-5-methyl-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 4-[4,5-bis(oxidanyl)-1,3-dithiolan-2-ylidene]-5-methyl-3-oxidanylidene-hexanoate Openeye Name: ethyl 4-(4,5-dihydroxy-1,3-dithiolan-2-ylidene)-5-methyl-3-oxo-hexanoate CAS Name: 4-(4,5-dihydroxy-1,3-dithiolan-2-ylidene)-5-methyl-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 4-(4,5-dihydroxy-1,3-dithiolan-2-ylidene)-5-methyl-3-oxohexanoate Traditional Name: 4-(4,5-dihydroxy-1,3-dithiolan-2-ylidene)-3-keto-5-methyl-hexanoic acid ethyl ester Formula: C12H18O5S2 MolecularWeight: 306.39832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(=C1SC(C(S1)O)O)C(C)C

Isomeric SMILES

CCOC(=O)CC(=O)C(=C1SC(C(S1)O)O)C(C)C

InChI

InChI=1S/C12H18O5S2/c1-4-17-8(14)5-7(13)9(6(2)3)12-18-10(15)11(16)19-12/h6,10-11,15-16H,4-5H2,1-3H3