[1,1,1-tris(fluoranyl)-3-(phenylsulfonyl)propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-(phenylsulfonyl)propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(benzenesulfonylmethyl)-2,2,2-trifluoro-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(benzenesulfonyl)-1,1,1-trifluoropropan-2-yl] ester IUPAC Name: [3-(benzenesulfonyl)-1,1,1-trifluoropropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(besylmethyl)-2,2,2-trifluoro-ethyl] ester Formula: C16H15F3O5S2 MolecularWeight: 408.41251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CS(=O)(=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CS(=O)(=O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3O5S2/c1-12-7-9-14(10-8-12)26(22,23)24-15(16(17,18)19)11-25(20,21)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3