5-oxidanylidenehexan-2-yl 4-chloranylbenzoate

Systemtic Name: 5-oxidanylidenehexan-2-yl 4-chloranylbenzoate Openeye Name: (1-methyl-4-oxo-pentyl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 5-oxohexan-2-yl ester IUPAC Name: 5-oxohexan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (4-keto-1-methyl-pentyl) ester Formula: C13H15ClO3 MolecularWeight: 254.7094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO3/c1-9(15)3-4-10(2)17-13(16)11-5-7-12(14)8-6-11/h5-8,10H,3-4H2,1-2H3