ethyl (E)-3-methyl-16-oxidanyl-2-[2,3,4-tris(fluoranyl)-5-methyl-phenyl]hexadec-2-enoate

Systemtic Name: ethyl (E)-3-methyl-16-oxidanyl-2-[2,3,4-tris(fluoranyl)-5-methyl-phenyl]hexadec-2-enoate Openeye Name: ethyl (E)-16-hydroxy-3-methyl-2-(2,3,4-trifluoro-5-methyl-phenyl)hexadec-2-enoate CAS Name: (E)-16-hydroxy-3-methyl-2-(2,3,4-trifluoro-5-methylphenyl)-2-hexadecenoic acid ethyl ester IUPAC Name: ethyl (E)-16-hydroxy-3-methyl-2-(2,3,4-trifluoro-5-methylphenyl)hexadec-2-enoate Traditional Name: (E)-16-hydroxy-3-methyl-2-(2,3,4-trifluoro-5-methyl-phenyl)hexadec-2-enoic acid ethyl ester Formula: C26H39F3O3 MolecularWeight: 456.58127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)CCCCCCCCCCCCCO)C1=CC(=C(C(=C1F)F)F)C

Isomeric SMILES

CCOC(=O)/C(=C(\C)/CCCCCCCCCCCCCO)/C1=CC(=C(C(=C1F)F)F)C

InChI

InChI=1S/C26H39F3O3/c1-4-32-26(31)22(21-18-20(3)23(27)25(29)24(21)28)19(2)16-14-12-10-8-6-5-7-9-11-13-15-17-30/h18,30H,4-17H2,1-3H3/b22-19+