methyl 4-methyl-2-oxidanylidene-3a,4,5,7a-tetrahydro-1,3,2$l^{4}-benzodioxathiole-6-carboxylate

Systemtic Name: methyl 4-methyl-2-oxidanylidene-3a,4,5,7a-tetrahydro-1,3,2$l^{4}-benzodioxathiole-6-carboxylate Openeye Name: methyl 4-methyl-2-oxo-3a,4,5,7a-tetrahydro-1,3,2$l^{4}-benzodioxathiole-6-carboxylate CAS Name: 4-methyl-2-oxo-3a,4,5,7a-tetrahydro-1,3,2$l^{4}-benzodioxathiole-6-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-oxo-3a,4,5,7a-tetrahydro-1,3,2$l^{4}-benzodioxathiole-6-carboxylate Traditional Name: 2-keto-4-methyl-3a,4,5,7a-tetrahydro-1,3,2$l^{4}-benzodioxathiole-6-carboxylic acid methyl ester Formula: C9H12O5S MolecularWeight: 232.25358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2C1OS(=O)O2)C(=O)OC

Isomeric SMILES

CC1CC(=CC2C1OS(=O)O2)C(=O)OC

InChI

InChI=1S/C9H12O5S/c1-5-3-6(9(10)12-2)4-7-8(5)14-15(11)13-7/h4-5,7-8H,3H2,1-2H3