2-phenethyl-2-prop-2-ynyl-propanedioic acid

Systemtic Name: 2-phenethyl-2-prop-2-ynyl-propanedioic acid Openeye Name: 2-phenethyl-2-prop-2-ynyl-propanedioic acid CAS Name: 2-phenethyl-2-prop-2-ynylpropanedioic acid IUPAC Name: 2-phenethyl-2-prop-2-ynylpropanedioic acid Traditional Name: 2-phenethyl-2-propargyl-malonic acid Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CCC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

C#CCC(CCC1=CC=CC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C14H14O4/c1-2-9-14(12(15)16,13(17)18)10-8-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,15,16)(H,17,18)