[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C17H15F3O5S MolecularWeight: 388.35821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3O2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3O2)C(F)(F)F

InChI

InChI=1S/C17H15F3O5S/c1-11-5-7-13(8-6-11)26(21,22)24-10-12-9-23-15-4-2-3-14(16(15)25-12)17(18,19)20/h2-8,12H,9-10H2,1H3