2-(3-phenylpropyl)-2-prop-2-ynyl-propanedioic acid

Systemtic Name: 2-(3-phenylpropyl)-2-prop-2-ynyl-propanedioic acid Openeye Name: 2-(3-phenylpropyl)-2-prop-2-ynyl-propanedioic acid CAS Name: 2-(3-phenylpropyl)-2-prop-2-ynylpropanedioic acid IUPAC Name: 2-(3-phenylpropyl)-2-prop-2-ynylpropanedioic acid Traditional Name: 2-(3-phenylpropyl)-2-propargyl-malonic acid Formula: C15H16O4 MolecularWeight: 260.28514

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CCCC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

C#CCC(CCCC1=CC=CC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C15H16O4/c1-2-10-15(13(16)17,14(18)19)11-6-9-12-7-4-3-5-8-12/h1,3-5,7-8H,6,9-11H2,(H,16,17)(H,18,19)