1-(3-chlorophenyl)-2,3,3-trimethyl-pentan-1-one hydrochloride

Systemtic Name: 1-(3-chlorophenyl)-2,3,3-trimethyl-pentan-1-one hydrochloride Openeye Name: 1-(3-chlorophenyl)-2,3,3-trimethyl-pentan-1-one hydrochloride CAS Name: 1-(3-chlorophenyl)-2,3,3-trimethyl-1-pentanone hydrochloride IUPAC Name: 1-(3-chlorophenyl)-2,3,3-trimethylpentan-1-one hydrochloride Traditional Name: 1-(3-chlorophenyl)-2,3,3-trimethyl-pentan-1-one hydrochloride Formula: C14H20Cl2O MolecularWeight: 275.214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C)C(=O)C1=CC(=CC=C1)Cl.Cl

Isomeric SMILES

CCC(C)(C)C(C)C(=O)C1=CC(=CC=C1)Cl.Cl

InChI

InChI=1S/C14H19ClO.ClH/c1-5-14(3,4)10(2)13(16)11-7-6-8-12(15)9-11;/h6-10H,5H2,1-4H3;1H