octyl 2-(2,6-dimethoxyphenyl)carbonyl-4,6,6-trimethyl-heptanoate

Systemtic Name: octyl 2-(2,6-dimethoxyphenyl)carbonyl-4,6,6-trimethyl-heptanoate Openeye Name: octyl 2-(2,6-dimethoxybenzoyl)-4,6,6-trimethyl-heptanoate CAS Name: 2-[(2,6-dimethoxyphenyl)-oxomethyl]-4,6,6-trimethylheptanoic acid octyl ester IUPAC Name: octyl 2-(2,6-dimethoxybenzoyl)-4,6,6-trimethylheptanoate Traditional Name: 2-(2,6-dimethoxybenzoyl)-4,6,6-trimethyl-enanthic acid octyl ester Formula: C27H44O5 MolecularWeight: 448.63526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC(C)CC(C)(C)C)C(=O)C1=C(C=CC=C1OC)OC

Isomeric SMILES

CCCCCCCCOC(=O)C(CC(C)CC(C)(C)C)C(=O)C1=C(C=CC=C1OC)OC

InChI

InChI=1S/C27H44O5/c1-8-9-10-11-12-13-17-32-26(29)21(18-20(2)19-27(3,4)5)25(28)24-22(30-6)15-14-16-23(24)31-7/h14-16,20-21H,8-13,17-19H2,1-7H3