3-methylbutyl 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate

Systemtic Name: 3-methylbutyl 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate Traditional Name: 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)enanthic acid isoamyl ester Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C(CC(C)CC(C)(C)C)C(=O)OCCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C(CC(C)CC(C)(C)C)C(=O)OCCC(C)C)C

InChI

InChI=1S/C25H40O3/c1-16(2)10-11-28-24(27)21(14-18(4)15-25(7,8)9)23(26)22-19(5)12-17(3)13-20(22)6/h12-13,16,18,21H,10-11,14-15H2,1-9H3