2-(phenylmethyl)-2-prop-2-ynyl-propanedioic acid

Systemtic Name: 2-(phenylmethyl)-2-prop-2-ynyl-propanedioic acid Openeye Name: 2-benzyl-2-prop-2-ynyl-propanedioic acid CAS Name: 2-(phenylmethyl)-2-prop-2-ynylpropanedioic acid IUPAC Name: 2-benzyl-2-prop-2-ynylpropanedioic acid Traditional Name: 2-benzyl-2-propargyl-malonic acid Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O4/c1-2-8-13(11(14)15,12(16)17)9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,14,15)(H,16,17)