(E)-2-(2-phenylethynyl)hept-2-enoic acid

Systemtic Name: (E)-2-(2-phenylethynyl)hept-2-enoic acid Openeye Name: (E)-2-(2-phenylethynyl)hept-2-enoic acid CAS Name: (E)-2-(2-phenylethynyl)-2-heptenoic acid IUPAC Name: (E)-2-(2-phenylethynyl)hept-2-enoic acid Traditional Name: (E)-2-(2-phenylethynyl)hept-2-enoic acid Formula: C15H16O2 MolecularWeight: 228.28634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C(\C#CC1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C15H16O2/c1-2-3-5-10-14(15(16)17)12-11-13-8-6-4-7-9-13/h4,6-10H,2-3,5H2,1H3,(H,16,17)/b14-10+