[3,5-bis(oxidanyl)-1-adamantyl] 2-(trifluoromethyl)prop-2-enoate

Systemtic Name: [3,5-bis(oxidanyl)-1-adamantyl] 2-(trifluoromethyl)prop-2-enoate Openeye Name: (3,5-dihydroxy-1-adamantyl) 2-(trifluoromethyl)prop-2-enoate CAS Name: 2-(trifluoromethyl)-2-propenoic acid (3,5-dihydroxy-1-adamantyl) ester IUPAC Name: (3,5-dihydroxy-1-adamantyl) 2-(trifluoromethyl)prop-2-enoate Traditional Name: 2-(trifluoromethyl)acrylic acid (3,5-dihydroxy-1-adamantyl) ester Formula: C14H17F3O4 MolecularWeight: 306.27759

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(F)(F)F

Isomeric SMILES

C=C(C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(F)(F)F

InChI

InChI=1S/C14H17F3O4/c1-8(14(15,16)17)10(18)21-13-4-9-2-11(19,6-13)5-12(20,3-9)7-13/h9,19-20H,1-7H2