4-oxidanylidenehexan-2-yl 4-chloranylbenzoate

Systemtic Name: 4-oxidanylidenehexan-2-yl 4-chloranylbenzoate Openeye Name: (1-methyl-3-oxo-pentyl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 4-oxohexan-2-yl ester IUPAC Name: 4-oxohexan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3-keto-1-methyl-pentyl) ester Formula: C13H15ClO3 MolecularWeight: 254.7094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO3/c1-3-12(15)8-9(2)17-13(16)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3