dimethyl (5R,6R)-2-oxidanylidene-4,5,6,7-tetrahydro-1,3-benzodithiole-5,6-dicarboxylate

Systemtic Name: dimethyl (5R,6R)-2-oxidanylidene-4,5,6,7-tetrahydro-1,3-benzodithiole-5,6-dicarboxylate Openeye Name: dimethyl (5R,6R)-2-oxo-4,5,6,7-tetrahydro-1,3-benzodithiole-5,6-dicarboxylate CAS Name: (5R,6R)-2-oxo-4,5,6,7-tetrahydro-1,3-benzodithiole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5R,6R)-2-oxo-4,5,6,7-tetrahydro-1,3-benzodithiole-5,6-dicarboxylate Traditional Name: (5R,6R)-2-keto-4,5,6,7-tetrahydro-1,3-benzodithiole-5,6-dicarboxylic acid dimethyl ester Formula: C11H12O5S2 MolecularWeight: 288.33998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CC1C(=O)OC)SC(=O)S2

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(C[C@H]1C(=O)OC)SC(=O)S2

InChI

InChI=1S/C11H12O5S2/c1-15-9(12)5-3-7-8(18-11(14)17-7)4-6(5)10(13)16-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1