O1-ethyl O6-methyl (E,4R,5R)-2-cyano-4-ethyl-5-oxidanyl-5-(trifluoromethyl)hex-2-enedioate

Systemtic Name: O1-ethyl O6-methyl (E,4R,5R)-2-cyano-4-ethyl-5-oxidanyl-5-(trifluoromethyl)hex-2-enedioate Openeye Name: O1-ethyl O6-methyl (E,4R,5R)-2-cyano-4-ethyl-5-hydroxy-5-(trifluoromethyl)hex-2-enedioate CAS Name: (E,4R,5R)-2-cyano-4-ethyl-5-hydroxy-5-(trifluoromethyl)-2-hexenedioic acid O1-ethyl ester O6-methyl ester IUPAC Name: 1-O-ethyl 6-O-methyl (E,4R,5R)-2-cyano-4-ethyl-5-hydroxy-5-(trifluoromethyl)hex-2-enedioate Traditional Name: (E,4R,5R)-2-cyano-4-ethyl-5-hydroxy-5-(trifluoromethyl)hex-2-enedioic acid O1-ethyl ester O6-methyl ester Formula: C13H16F3NO5 MolecularWeight: 323.26505

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C(C#N)C(=O)OCC)C(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CC[C@H](/C=C(\C#N)/C(=O)OCC)[C@@](C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C13H16F3NO5/c1-4-9(6-8(7-17)10(18)22-5-2)12(20,11(19)21-3)13(14,15)16/h6,9,20H,4-5H2,1-3H3/b8-6+/t9-,12-/m1/s1