3-methylbutyl 7-oxidanylidene-7-(2,4,6-trimethylphenyl)heptanoate

Systemtic Name: 3-methylbutyl 7-oxidanylidene-7-(2,4,6-trimethylphenyl)heptanoate Openeye Name: isopentyl 7-oxo-7-(2,4,6-trimethylphenyl)heptanoate CAS Name: 7-oxo-7-(2,4,6-trimethylphenyl)heptanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 7-oxo-7-(2,4,6-trimethylphenyl)heptanoate Traditional Name: 7-keto-7-mesityl-enanthic acid isoamyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-15(2)11-12-24-20(23)10-8-6-7-9-19(22)21-17(4)13-16(3)14-18(21)5/h13-15H,6-12H2,1-5H3