methyl 2-[chloranyl(phenyl)methyl]-5,5-dimethyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl 2-[chloranyl(phenyl)methyl]-5,5-dimethyl-4-oxidanylidene-hexanoate Openeye Name: methyl 2-[chloro(phenyl)methyl]-5,5-dimethyl-4-oxo-hexanoate CAS Name: 2-[chloro(phenyl)methyl]-5,5-dimethyl-4-oxohexanoic acid methyl ester IUPAC Name: methyl 2-[chloro(phenyl)methyl]-5,5-dimethyl-4-oxohexanoate Traditional Name: 2-[chloro(phenyl)methyl]-4-keto-5,5-dimethyl-hexanoic acid methyl ester Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClO3/c1-16(2,3)13(18)10-12(15(19)20-4)14(17)11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3