methyl 3-(4-chlorophenyl)-4,4-dimethyl-pentanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-4,4-dimethyl-pentanoate Openeye Name: methyl 3-(4-chlorophenyl)-4,4-dimethyl-pentanoate CAS Name: 3-(4-chlorophenyl)-4,4-dimethylpentanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-4,4-dimethylpentanoate Traditional Name: 3-(4-chlorophenyl)-4,4-dimethyl-valeric acid methyl ester Formula: C14H19ClO2 MolecularWeight: 254.75246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO2/c1-14(2,3)12(9-13(16)17-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3