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

Systemtic Name: ethyl 3,3,5-trimethyl-4-oxidanyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylate Openeye Name: ethyl 4-hydroxy-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate CAS Name: 4-hydroxy-3,3,5-trimethyl-1,1-dioxo-2,4-dihydro-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate Traditional Name: 4-hydroxy-1,1-diketo-3,3,5-trimethyl-2,4-dihydrothiochromene-6-carboxylic acid ethyl ester Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC(C2O)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC(C2O)(C)C)C

InChI

InChI=1S/C15H20O5S/c1-5-20-14(17)10-6-7-11-12(9(10)2)13(16)15(3,4)8-21(11,18)19/h6-7,13,16H,5,8H2,1-4H3