phenyl (E)-docos-4-enoate

Systemtic Name: phenyl (E)-docos-4-enoate Openeye Name: phenyl (E)-docos-4-enoate CAS Name: (E)-4-docosenoic acid phenyl ester IUPAC Name: phenyl (E)-docos-4-enoate Traditional Name: (E)-docos-4-enoic acid phenyl ester Formula: C28H46O2 MolecularWeight: 414.66364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(29)30-27-24-21-20-22-25-27/h18-22,24-25H,2-17,23,26H2,1H3/b19-18+