methyl 3-hexadecyl-4-methoxy-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-hexadecyl-4-methoxy-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-hexadecyl-6-hydroxy-4-methoxy-2-oxo-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate CAS Name: 3-hexadecyl-6-hydroxy-4-methoxy-2-oxo-6-(trifluoromethyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-hexadecyl-6-hydroxy-4-methoxy-2-oxo-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate Traditional Name: 3-cetyl-6-hydroxy-2-keto-4-methoxy-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C26H43F3O5 MolecularWeight: 492.61183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(CC(C(C1=O)C(=O)OC)(C(F)(F)F)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(CC(C(C1=O)C(=O)OC)(C(F)(F)F)O)OC

InChI

InChI=1S/C26H43F3O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(33-2)19-25(32,26(27,28)29)22(23(20)30)24(31)34-3/h22,32H,4-19H2,1-3H3