3-ethoxy-4-[(1Z)-1-fluoranyl-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid

Systemtic Name: 3-ethoxy-4-[(1Z)-1-fluoranyl-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Openeye Name: 3-ethoxy-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid CAS Name: 3-ethoxy-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid IUPAC Name: 3-ethoxy-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Traditional Name: 3-ethoxy-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Formula: C23H29FO3 MolecularWeight: 372.472963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)O)C(=C(C)C(=C)C2=C(CCCC2(C)C)C)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O)/C(=C(\C)/C(=C)C2=C(CCCC2(C)C)C)/F

InChI

InChI=1S/C23H29FO3/c1-7-27-19-13-17(22(25)26)10-11-18(19)21(24)16(4)15(3)20-14(2)9-8-12-23(20,5)6/h10-11,13H,3,7-9,12H2,1-2,4-6H3,(H,25,26)/b21-16-