ethyl 3,3,5-trimethyl-4-methylsulfonyloxy-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylate

Systemtic Name: ethyl 3,3,5-trimethyl-4-methylsulfonyloxy-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylate Openeye Name: ethyl 3,3,5-trimethyl-4-methylsulfonyloxy-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate CAS Name: 3,3,5-trimethyl-4-methylsulfonyloxy-1,1-dioxo-2,4-dihydro-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3,3,5-trimethyl-4-methylsulfonyloxy-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate Traditional Name: 1,1-diketo-3,3,5-trimethyl-4-methylsulfonyloxy-2,4-dihydrothiochromene-6-carboxylic acid ethyl ester Formula: C16H22O7S2 MolecularWeight: 390.47168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC(C2OS(=O)(=O)C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC(C2OS(=O)(=O)C)(C)C)C

InChI

InChI=1S/C16H22O7S2/c1-6-22-15(17)11-7-8-12-13(10(11)2)14(23-24(5,18)19)16(3,4)9-25(12,20)21/h7-8,14H,6,9H2,1-5H3