[5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl] ester IUPAC Name: [5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-keto-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl] ester Formula: C18H13F3O5S MolecularWeight: 398.35303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3O5S/c1-11-2-8-14(9-3-11)27(23,24)26-15-10-25-17(22)16(15)12-4-6-13(7-5-12)18(19,20)21/h2-9H,10H2,1H3