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

Systemtic Name: octyl 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate Openeye Name: octyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate CAS Name: 4,6,6-trimethyl-2-[oxo-(2,4,6-trimethylphenyl)methyl]heptanoic acid octyl ester IUPAC Name: octyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate Traditional Name: 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)enanthic acid octyl ester Formula: C28H46O3 MolecularWeight: 430.66304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC(C)CC(C)(C)C)C(=O)C1=C(C=C(C=C1C)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C(CC(C)CC(C)(C)C)C(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C28H46O3/c1-9-10-11-12-13-14-15-31-27(30)24(18-21(3)19-28(6,7)8)26(29)25-22(4)16-20(2)17-23(25)5/h16-17,21,24H,9-15,18-19H2,1-8H3