3-ethyl-3-phenyl-pentanedioic acid

Systemtic Name: 3-ethyl-3-phenyl-pentanedioic acid Openeye Name: 3-ethyl-3-phenyl-pentanedioic acid CAS Name: 3-ethyl-3-phenylpentanedioic acid IUPAC Name: 3-ethyl-3-phenylpentanedioic acid Traditional Name: 3-ethyl-3-phenyl-glutaric acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-2-13(8-11(14)15,9-12(16)17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)(H,16,17)