5-chloranyl-2-(hydroxymethyl)-4-oxidanylidene-3-(phenylmethyl)pentanoic acid

Systemtic Name: 5-chloranyl-2-(hydroxymethyl)-4-oxidanylidene-3-(phenylmethyl)pentanoic acid Openeye Name: 3-benzyl-5-chloro-2-(hydroxymethyl)-4-oxo-pentanoic acid CAS Name: 5-chloro-2-(hydroxymethyl)-4-oxo-3-(phenylmethyl)pentanoic acid IUPAC Name: 3-benzyl-5-chloro-2-(hydroxymethyl)-4-oxopentanoic acid Traditional Name: 3-benzyl-5-chloro-4-keto-2-methylol-valeric acid Formula: C13H15ClO4 MolecularWeight: 270.7088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CO)C(=O)O)C(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CO)C(=O)O)C(=O)CCl

InChI

InChI=1S/C13H15ClO4/c14-7-12(16)10(11(8-15)13(17)18)6-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,17,18)