methyl 4-[(1E)-1-fluoranyl-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-oxidanyl-benzoate

Systemtic Name: methyl 4-[(1E)-1-fluoranyl-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-oxidanyl-benzoate Openeye Name: methyl 4-[(1E)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-hydroxy-benzoate CAS Name: 4-[(1E)-1-fluoro-2-methyl-3-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]-3-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[(1E)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-hydroxybenzoate Traditional Name: 4-[(1E)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-hydroxy-benzoic acid methyl ester Formula: C22H27FO3 MolecularWeight: 358.446383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C(=C)C(=C(C2=C(C=C(C=C2)C(=O)OC)O)F)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C(=C)/C(=C(\C2=C(C=C(C=C2)C(=O)OC)O)/F)/C

InChI

InChI=1S/C22H27FO3/c1-13-8-7-11-22(4,5)19(13)14(2)15(3)20(23)17-10-9-16(12-18(17)24)21(25)26-6/h9-10,12,24H,2,7-8,11H2,1,3-6H3/b20-15+