(2,5-dimethylphenyl) 3,3-dimethyl-5-oxidanylidene-hexanoate

Systemtic Name: (2,5-dimethylphenyl) 3,3-dimethyl-5-oxidanylidene-hexanoate Openeye Name: (2,5-dimethylphenyl) 3,3-dimethyl-5-oxo-hexanoate CAS Name: 3,3-dimethyl-5-oxohexanoic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 3,3-dimethyl-5-oxohexanoate Traditional Name: 5-keto-3,3-dimethyl-hexanoic acid (2,5-dimethylphenyl) ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-11-6-7-12(2)14(8-11)19-15(18)10-16(4,5)9-13(3)17/h6-8H,9-10H2,1-5H3