5-chloranyl-4-oxidanylidene-2-(phenylmethyl)pentanoate

Systemtic Name: 5-chloranyl-4-oxidanylidene-2-(phenylmethyl)pentanoate Openeye Name: 2-benzyl-5-chloro-4-oxo-pentanoate CAS Name: 5-chloro-4-oxo-2-(phenylmethyl)pentanoate IUPAC Name: 2-benzyl-5-chloro-4-oxopentanoate Traditional Name: 2-benzyl-5-chloro-4-keto-valerate Formula: C12H12ClO3- MolecularWeight: 239.67488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)CCl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)CCl)C(=O)[O-]

InChI

InChI=1S/C12H13ClO3/c13-8-11(14)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/p-1