5-(3-ethylphenyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3-ethylphenyl)-3-oxidanylidene-pentanoic acid Openeye Name: 5-(3-ethylphenyl)-3-oxo-pentanoic acid CAS Name: 5-(3-ethylphenyl)-3-oxopentanoic acid IUPAC Name: 5-(3-ethylphenyl)-3-oxopentanoic acid Traditional Name: 5-(3-ethylphenyl)-3-keto-valeric acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CCC(=O)CC(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)CCC(=O)CC(=O)O

InChI

InChI=1S/C13H16O3/c1-2-10-4-3-5-11(8-10)6-7-12(14)9-13(15)16/h3-5,8H,2,6-7,9H2,1H3,(H,15,16)