1-adamantylmethyl (Z)-4-methylsulfonyloxy-2-(trifluoromethyl)but-2-enoate

Systemtic Name: 1-adamantylmethyl (Z)-4-methylsulfonyloxy-2-(trifluoromethyl)but-2-enoate Openeye Name: 1-adamantylmethyl (Z)-4-methylsulfonyloxy-2-(trifluoromethyl)but-2-enoate CAS Name: (Z)-4-methylsulfonyloxy-2-(trifluoromethyl)-2-butenoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl (Z)-4-methylsulfonyloxy-2-(trifluoromethyl)but-2-enoate Traditional Name: (Z)-4-methylsulfonyloxy-2-(trifluoromethyl)but-2-enoic acid 1-adamantylmethyl ester Formula: C17H23F3O5S MolecularWeight: 396.42173

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC=C(C(=O)OCC12CC3CC(C1)CC(C3)C2)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OC/C=C(/C(=O)OCC12CC3CC(C1)CC(C3)C2)\C(F)(F)F

InChI

InChI=1S/C17H23F3O5S/c1-26(22,23)25-3-2-14(17(18,19)20)15(21)24-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h2,11-13H,3-10H2,1H3/b14-2-