[[(3aS,4S,6R,6aS)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-deuterio-methyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [[(3aS,4S,6R,6aS)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-deuterio-methyl] tris(fluoranyl)methanesulfonate Openeye Name: [[(3aS,4S,6R,6aS)-4-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-deuterio-methyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [[(3aS,4S,6R,6aS)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-deuteriomethyl] ester IUPAC Name: [[(3aS,4S,6R,6aS)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-deuteriomethyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [[(3aS,4S,6R,6aS)-4-benzoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-deuterio-methyl] ester Formula: C16H19F3O7S MolecularWeight: 413.384231

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)OCC3=CC=CC=C3)COS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

[2H]C([C@@H]1[C@H]2[C@@H]([C@H](O1)OCC3=CC=CC=C3)OC(O2)(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H19F3O7S/c1-15(2)25-12-11(9-23-27(20,21)16(17,18)19)24-14(13(12)26-15)22-8-10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3/t11-,12+,13+,14+/m1/s1/i9D/t9?,11-,12+,13+,14+