2-but-2-ynyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid

Systemtic Name: 2-but-2-ynyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid Openeye Name: 2-but-2-ynyl-2-[(E)-cinnamyl]propanedioic acid CAS Name: 2-but-2-ynyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid IUPAC Name: 2-but-2-ynyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid Traditional Name: 2-but-2-ynyl-2-[(E)-cinnamyl]malonic acid Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC=CC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4/c1-2-3-11-16(14(17)18,15(19)20)12-7-10-13-8-5-4-6-9-13/h4-10H,11-12H2,1H3,(H,17,18)(H,19,20)/b10-7+