pentyl 7-oxidanylidene-7-(2,4,6-trimethylphenyl)heptanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-5-6-10-13-24-20(23)12-9-7-8-11-19(22)21-17(3)14-16(2)15-18(21)4/h14-15H,5-13H2,1-4H3