(E)-6-(3-hexanoylphenyl)hex-5-enoic acid

Systemtic Name: (E)-6-(3-hexanoylphenyl)hex-5-enoic acid Openeye Name: (E)-6-(3-hexanoylphenyl)hex-5-enoic acid CAS Name: (E)-6-[3-(1-oxohexyl)phenyl]-5-hexenoic acid IUPAC Name: (E)-6-(3-hexanoylphenyl)hex-5-enoic acid Traditional Name: (E)-6-(3-caproylphenyl)hex-5-enoic acid Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=CC(=C1)C=CCCCC(=O)O

Isomeric SMILES

CCCCCC(=O)C1=CC=CC(=C1)/C=C/CCCC(=O)O

InChI

InChI=1S/C18H24O3/c1-2-3-5-12-17(19)16-11-8-10-15(14-16)9-6-4-7-13-18(20)21/h6,8-11,14H,2-5,7,12-13H2,1H3,(H,20,21)/b9-6+