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

Systemtic Name: propyl 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate Traditional Name: 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)enanthic acid propyl ester Formula: C23H36O3 MolecularWeight: 360.53014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O3/c1-9-10-26-22(25)19(13-16(3)14-23(6,7)8)21(24)20-17(4)11-15(2)12-18(20)5/h11-12,16,19H,9-10,13-14H2,1-8H3