3-oxidanyl-2-(phenylmethyl)pentanedioic acid

Systemtic Name: 3-oxidanyl-2-(phenylmethyl)pentanedioic acid Openeye Name: 2-benzyl-3-hydroxy-pentanedioic acid CAS Name: 3-hydroxy-2-(phenylmethyl)pentanedioic acid IUPAC Name: 2-benzyl-3-hydroxypentanedioic acid Traditional Name: 2-benzyl-3-hydroxy-glutaric acid Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CC(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CC(=O)O)O)C(=O)O

InChI

InChI=1S/C12H14O5/c13-10(7-11(14)15)9(12(16)17)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,14,15)(H,16,17)