2-heptyl-2-prop-2-ynyl-propanedioic acid

Systemtic Name: 2-heptyl-2-prop-2-ynyl-propanedioic acid Openeye Name: 2-heptyl-2-prop-2-ynyl-propanedioic acid CAS Name: 2-heptyl-2-prop-2-ynylpropanedioic acid IUPAC Name: 2-heptyl-2-prop-2-ynylpropanedioic acid Traditional Name: 2-heptyl-2-propargyl-malonic acid Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC#C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(CC#C)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H20O4/c1-3-5-6-7-8-10-13(9-4-2,11(14)15)12(16)17/h2H,3,5-10H2,1H3,(H,14,15)(H,16,17)