4-oxidanylidenepentan-2-yl 4-chloranylbenzoate

Systemtic Name: 4-oxidanylidenepentan-2-yl 4-chloranylbenzoate Openeye Name: (1-methyl-3-oxo-butyl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 4-oxopentan-2-yl ester IUPAC Name: 4-oxopentan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3-keto-1-methyl-butyl) ester Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3/c1-8(14)7-9(2)16-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7H2,1-2H3