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

Systemtic Name: ethyl 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Openeye Name: ethyl 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate CAS Name: 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Traditional Name: 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid ethyl ester Formula: C25H34O3 MolecularWeight: 382.53566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O3/c1-8-17(4)22(23-18(5)12-11-15-25(23,6)7)20-14-13-19(24(26)28-10-3)16-21(20)27-9-2/h8,13-14,16H,1,9-12,15H2,2-7H3/b22-17-