(2E)-2-(3-phenylprop-2-ynylidene)hexanoic acid

Systemtic Name: (2E)-2-(3-phenylprop-2-ynylidene)hexanoic acid Openeye Name: (2E)-2-(3-phenylprop-2-ynylidene)hexanoic acid CAS Name: (2E)-2-(3-phenylprop-2-ynylidene)hexanoic acid IUPAC Name: (2E)-2-(3-phenylprop-2-ynylidene)hexanoic acid Traditional Name: (E)-2-butyl-5-phenyl-pent-2-en-4-ynoic acid Formula: C15H16O2 MolecularWeight: 228.28634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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