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

Systemtic Name: heptyl 3-ethoxy-4-[(1E)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C30H44O3 MolecularWeight: 452.66856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44O3/c1-8-11-12-13-14-20-33-29(31)24-17-18-25(26(21-24)32-10-3)27(22(4)9-2)28-23(5)16-15-19-30(28,6)7/h9,17-18,21H,2,8,10-16,19-20H2,1,3-7H3/b27-22-