(E)-6-[3-(5-oxidanyldecan-5-yl)phenyl]hex-5-enoate

Systemtic Name: (E)-6-[3-(5-oxidanyldecan-5-yl)phenyl]hex-5-enoate Openeye Name: (E)-6-[3-(1-butyl-1-hydroxy-hexyl)phenyl]hex-5-enoate CAS Name: (E)-6-[3-(5-hydroxydecan-5-yl)phenyl]-5-hexenoate IUPAC Name: (E)-6-[3-(5-hydroxydecan-5-yl)phenyl]hex-5-enoate Traditional Name: (E)-6-[3-(1-butyl-1-hydroxy-hexyl)phenyl]hex-5-enoate Formula: C22H33O3- MolecularWeight: 345.49562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)(C1=CC=CC(=C1)C=CCCCC(=O)[O-])O

Isomeric SMILES

CCCCCC(CCCC)(C1=CC=CC(=C1)/C=C/CCCC(=O)[O-])O

InChI

InChI=1S/C22H34O3/c1-3-5-10-17-22(25,16-6-4-2)20-14-11-13-19(18-20)12-8-7-9-15-21(23)24/h8,11-14,18,25H,3-7,9-10,15-17H2,1-2H3,(H,23,24)/p-1/b12-8+