(3-oxidanylidenecyclohexen-1-yl) 3,3,8-trimethyl-1,1,4-tris(oxidanylidene)-5-(trifluoromethyl)-2H-thiochromene-6-carboxylate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 3,3,8-trimethyl-1,1,4-tris(oxidanylidene)-5-(trifluoromethyl)-2H-thiochromene-6-carboxylate Openeye Name: (3-oxocyclohexen-1-yl) 3,3,8-trimethyl-1,1,4-trioxo-5-(trifluoromethyl)-2H-thiochromene-6-carboxylate CAS Name: 3,3,8-trimethyl-1,1,4-trioxo-5-(trifluoromethyl)-2H-1-benzothiopyran-6-carboxylic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 3,3,8-trimethyl-1,1,4-trioxo-5-(trifluoromethyl)-2H-thiochromene-6-carboxylate Traditional Name: 1,1,4-triketo-3,3,8-trimethyl-5-(trifluoromethyl)-2H-thiochromene-6-carboxylic acid (3-ketocyclohexen-1-yl) ester Formula: C20H19F3O6S MolecularWeight: 444.42147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)OC3=CC(=O)CCC3)C(F)(F)F)C(=O)C(CS2(=O)=O)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)OC3=CC(=O)CCC3)C(F)(F)F)C(=O)C(CS2(=O)=O)(C)C

InChI

InChI=1S/C20H19F3O6S/c1-10-7-13(18(26)29-12-6-4-5-11(24)8-12)15(20(21,22)23)14-16(10)30(27,28)9-19(2,3)17(14)25/h7-8H,4-6,9H2,1-3H3