phenyl (E)-hexacos-4-enoate

Systemtic Name: phenyl (E)-hexacos-4-enoate Openeye Name: phenyl (E)-hexacos-4-enoate CAS Name: (E)-4-hexacosenoic acid phenyl ester IUPAC Name: phenyl (E)-hexacos-4-enoate Traditional Name: (E)-hexacos-4-enoic acid phenyl ester Formula: C32H54O2 MolecularWeight: 470.76996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC=CCCC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC/C=C/CCC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C32H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-32(33)34-31-28-25-24-26-29-31/h22-26,28-29H,2-21,27,30H2,1H3/b23-22+