[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C13H12F6O5S MolecularWeight: 394.286799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H12F6O5S/c1-8-2-4-10(5-3-8)25(20,21)23-7-9-6-22-11(24-9,12(14,15)16)13(17,18)19/h2-5,9H,6-7H2,1H3