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

Systemtic Name: butyl 3-methoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Openeye Name: butyl 3-methoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate CAS Name: 3-methoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid butyl ester IUPAC Name: butyl 3-methoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Traditional Name: 3-methoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid butyl ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1)C(=C(C)C=C)C2=C(CCCC2(C)C)C)OC

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1)/C(=C(\C)/C=C)/C2=C(CCCC2(C)C)C)OC

InChI

InChI=1S/C26H36O3/c1-8-10-16-29-25(27)20-13-14-21(22(17-20)28-7)23(18(3)9-2)24-19(4)12-11-15-26(24,5)6/h9,13-14,17H,2,8,10-12,15-16H2,1,3-7H3/b23-18-