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

Systemtic Name: 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Openeye Name: 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid CAS Name: 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid IUPAC Name: 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Traditional Name: 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid Formula: C23H30O3 MolecularWeight: 354.4825

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O3/c1-7-15(3)20(21-16(4)10-9-13-23(21,5)6)18-12-11-17(22(24)25)14-19(18)26-8-2/h7,11-12,14H,1,8-10,13H2,2-6H3,(H,24,25)/b20-15-