2-octyl-2-prop-2-ynyl-propanedioic acid

Systemtic Name: 2-octyl-2-prop-2-ynyl-propanedioic acid Openeye Name: 2-octyl-2-prop-2-ynyl-propanedioic acid CAS Name: 2-octyl-2-prop-2-ynylpropanedioic acid IUPAC Name: 2-octyl-2-prop-2-ynylpropanedioic acid Traditional Name: 2-octyl-2-propargyl-malonic acid Formula: C14H22O4 MolecularWeight: 254.32208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC#C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CC#C)(C(=O)O)C(=O)O

InChI

InChI=1S/C14H22O4/c1-3-5-6-7-8-9-11-14(10-4-2,12(15)16)13(17)18/h2H,3,5-11H2,1H3,(H,15,16)(H,17,18)