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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=C(C=C1)C(=C(C)C=C)C2=C(CCCC2(C)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C26H36O3/c1-7-9-10-16-29-25(28)20-13-14-21(22(27)17-20)23(18(3)8-2)24-19(4)12-11-15-26(24,5)6/h8,13-14,17,27H,2,7,9-12,15-16H2,1,3-6H3/b23-18-