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

Systemtic Name: hexyl 4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3-oxidanyl-benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O3/c1-7-9-10-11-17-30-26(29)21-14-15-22(23(28)18-21)24(19(3)8-2)25-20(4)13-12-16-27(25,5)6/h8,14-15,18,28H,2,7,9-13,16-17H2,1,3-6H3/b24-19-