2-(4-phenylbutyl)-2-prop-2-ynyl-propanedioic acid

Systemtic Name: 2-(4-phenylbutyl)-2-prop-2-ynyl-propanedioic acid Openeye Name: 2-(4-phenylbutyl)-2-prop-2-ynyl-propanedioic acid CAS Name: 2-(4-phenylbutyl)-2-prop-2-ynylpropanedioic acid IUPAC Name: 2-(4-phenylbutyl)-2-prop-2-ynylpropanedioic acid Traditional Name: 2-(4-phenylbutyl)-2-propargyl-malonic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CCCCC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

C#CCC(CCCCC1=CC=CC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O4/c1-2-11-16(14(17)18,15(19)20)12-7-6-10-13-8-4-3-5-9-13/h1,3-5,8-9H,6-7,10-12H2,(H,17,18)(H,19,20)