[4,5-diacetyloxy-6-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]oxy-thian-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]oxy-thian-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]oxy]-3-thianyl] ester IUPAC Name: [4,5-diacetyloxy-6-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxythian-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[2-keto-4-(trifluoromethyl)chromen-7-yl]oxy-tetrahydrothiopyran-3-yl] ester Formula: C21H19F3O9S MolecularWeight: 504.43037

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C21H19F3O9S/c1-9(25)29-16-8-34-20(19(31-11(3)27)18(16)30-10(2)26)32-12-4-5-13-14(21(22,23)24)7-17(28)33-15(13)6-12/h4-7,16,18-20H,8H2,1-3H3