[(E)-3-cyano-2-(octadecanoyloxymethyl)prop-2-enyl] icos-14-enoate

Systemtic Name: [(E)-3-cyano-2-(octadecanoyloxymethyl)prop-2-enyl] icos-14-enoate Openeye Name: [(E)-3-cyano-2-(octadecanoyloxymethyl)allyl] icos-14-enoate CAS Name: 14-eicosenoic acid [(E)-3-cyano-2-(1-oxooctadecoxymethyl)prop-2-enyl] ester IUPAC Name: [(E)-3-cyano-2-(octadecanoyloxymethyl)prop-2-enyl] icos-14-enoate Traditional Name: eicos-14-enoic acid [(E)-3-cyano-2-(stearoyloxymethyl)allyl] ester Formula: C43H77NO4 MolecularWeight: 672.07578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCCCCCCCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC/C(=C\C#N)/COC(=O)CCCCCCCCCCCCC=CCCCCC

InChI

InChI=1S/C43H77NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)48-40-41(37-38-44)39-47-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,37H,3-10,12,14-36,39-40H2,1-2H3/b13-11?,41-37+