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

Systemtic Name: octyl 3-ethyl-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Openeye Name: octyl 3-ethyl-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate CAS Name: 3-ethyl-4-[(1Z)-2-methyl-1-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid octyl ester IUPAC Name: octyl 3-ethyl-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Traditional Name: 3-ethyl-4-[(1Z)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid octyl ester Formula: C31H46O2 MolecularWeight: 450.69574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46O2/c1-8-11-12-13-14-15-21-33-30(32)26-18-19-27(25(10-3)22-26)28(23(4)9-2)29-24(5)17-16-20-31(29,6)7/h9,18-19,22H,2,8,10-17,20-21H2,1,3-7H3/b28-23-