ethyl (1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-2-oxidanylidene-5-[2-[2,2,2-tris(fluoranyl)ethanoyloxy]ethyl]-3,4,5,7,8,8a-hexahydronaphthalene-1-carboxylate

Systemtic Name: ethyl (1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-2-oxidanylidene-5-[2-[2,2,2-tris(fluoranyl)ethanoyloxy]ethyl]-3,4,5,7,8,8a-hexahydronaphthalene-1-carboxylate Openeye Name: ethyl (1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylene-2-oxo-5-[2-(2,2,2-trifluoroacetyl)oxyethyl]decalin-1-carboxylate CAS Name: (1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylene-2-oxo-5-[2-(2,2,2-trifluoro-1-oxoethoxy)ethyl]-3,4,5,7,8,8a-hexahydronaphthalene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-2-oxo-5-[2-(2,2,2-trifluoroacetyl)oxyethyl]-3,4,5,7,8,8a-hexahydronaphthalene-1-carboxylate Traditional Name: (1R,4aR,5S,8aR)-2-keto-1,4a-dimethyl-6-methylene-5-[2-(2,2,2-trifluoroacetyl)oxyethyl]decalin-1-carboxylic acid ethyl ester Formula: C20H27F3O5 MolecularWeight: 404.42059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CCC(=C)C(C2(CCC1=O)C)CCOC(=O)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H]2CCC(=C)[C@@H]([C@]2(CCC1=O)C)CCOC(=O)C(F)(F)F)C

InChI

InChI=1S/C20H27F3O5/c1-5-27-16(25)19(4)14-7-6-12(2)13(18(14,3)10-8-15(19)24)9-11-28-17(26)20(21,22)23/h13-14H,2,5-11H2,1,3-4H3/t13-,14+,18+,19+/m0/s1