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

Systemtic Name: pentyl 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate Traditional Name: 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)enanthic acid amyl ester Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O3/c1-9-10-11-12-28-24(27)21(15-18(3)16-25(6,7)8)23(26)22-19(4)13-17(2)14-20(22)5/h13-14,18,21H,9-12,15-16H2,1-8H3