2-ethanoyl-2-(phenylmethyl)butanedioic acid

Systemtic Name: 2-ethanoyl-2-(phenylmethyl)butanedioic acid Openeye Name: 2-acetyl-2-benzyl-butanedioic acid CAS Name: 2-acetyl-2-(phenylmethyl)butanedioic acid IUPAC Name: 2-acetyl-2-benzylbutanedioic acid Traditional Name: 2-acetyl-2-benzyl-succinic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14O5/c1-9(14)13(12(17)18,8-11(15)16)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)(H,17,18)