4-chloranyl-2-(2-methoxyphenyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 4-chloranyl-2-(2-methoxyphenyl)-3-oxidanylidene-pentanoic acid Openeye Name: 4-chloro-2-(2-methoxyphenyl)-3-oxo-pentanoic acid CAS Name: 4-chloro-2-(2-methoxyphenyl)-3-oxopentanoic acid IUPAC Name: 4-chloro-2-(2-methoxyphenyl)-3-oxopentanoic acid Traditional Name: 4-chloro-3-keto-2-(2-methoxyphenyl)valeric acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C1=CC=CC=C1OC)C(=O)O)Cl

Isomeric SMILES

CC(C(=O)C(C1=CC=CC=C1OC)C(=O)O)Cl

InChI

InChI=1S/C12H13ClO4/c1-7(13)11(14)10(12(15)16)8-5-3-4-6-9(8)17-2/h3-7,10H,1-2H3,(H,15,16)