4-[2-(chloromethyl)-5-oxidanylidene-pentanoyl]benzoic acid

Systemtic Name: 4-[2-(chloromethyl)-5-oxidanylidene-pentanoyl]benzoic acid Openeye Name: 4-[2-(chloromethyl)-5-oxo-pentanoyl]benzoic acid CAS Name: 4-[2-(chloromethyl)-1,5-dioxopentyl]benzoic acid IUPAC Name: 4-[2-(chloromethyl)-5-oxopentanoyl]benzoic acid Traditional Name: 4-[2-(chloromethyl)-5-keto-pentanoyl]benzoic acid Formula: C13H13ClO4 MolecularWeight: 268.69292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CCC=O)CCl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CCC=O)CCl)C(=O)O

InChI

InChI=1S/C13H13ClO4/c14-8-11(2-1-7-15)12(16)9-3-5-10(6-4-9)13(17)18/h3-7,11H,1-2,8H2,(H,17,18)