octyl 4-[(1E,3E)-2-methyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)buta-1,3-dienyl]benzoate

Systemtic Name: octyl 4-[(1E,3E)-2-methyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)buta-1,3-dienyl]benzoate Openeye Name: octyl 4-[(1E,3E)-2-methyl-4-(2,2,6-trimethylnorcaran-1-yl)buta-1,3-dienyl]benzoate CAS Name: 4-[(1E,3E)-2-methyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)buta-1,3-dienyl]benzoic acid octyl ester IUPAC Name: octyl 4-[(1E,3E)-2-methyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)buta-1,3-dienyl]benzoate Traditional Name: 4-[(1E,3E)-2-methyl-4-(2,2,6-trimethylnorcaran-1-yl)buta-1,3-dienyl]benzoic acid octyl ester Formula: C30H44O2 MolecularWeight: 436.66916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C=C(C)C=CC23CC2(CCCC3(C)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C=C/C23CC2(CCCC3(C)C)C

InChI

InChI=1S/C30H44O2/c1-6-7-8-9-10-11-21-32-27(31)26-15-13-25(14-16-26)22-24(2)17-20-30-23-29(30,5)19-12-18-28(30,3)4/h13-17,20,22H,6-12,18-19,21,23H2,1-5H3/b20-17+,24-22+