methyl 1,1,4-tris(oxidanylidene)thiane-3-carboxylate

Systemtic Name: methyl 1,1,4-tris(oxidanylidene)thiane-3-carboxylate Openeye Name: methyl 1,1,4-trioxothiane-3-carboxylate CAS Name: 1,1,4-trioxo-3-thianecarboxylic acid methyl ester IUPAC Name: methyl 1,1,4-trioxothiane-3-carboxylate Traditional Name: 1,1,4-triketothiane-3-carboxylic acid methyl ester Formula: C7H10O5S MolecularWeight: 206.2163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CS(=O)(=O)CCC1=O

Isomeric SMILES

COC(=O)C1CS(=O)(=O)CCC1=O

InChI

InChI=1S/C7H10O5S/c1-12-7(9)5-4-13(10,11)3-2-6(5)8/h5H,2-4H2,1H3