pyrrolidin-1-ylmethyl (9Z,12Z)-2-ethyl-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-octadeca-9,12-dienoate

Systemtic Name: pyrrolidin-1-ylmethyl (9Z,12Z)-2-ethyl-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-octadeca-9,12-dienoate Openeye Name: pyrrolidin-1-ylmethyl (9Z,12Z)-2-ethyl-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-2-ethyl-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]octadeca-9,12-dienoic acid 1-pyrrolidinylmethyl ester IUPAC Name: pyrrolidin-1-ylmethyl (9Z,12Z)-2-ethyl-2-[(9E,12E)-octadeca-9,12-dienoyl]oxyoctadeca-9,12-dienoate Traditional Name: (9Z,12Z)-2-ethyl-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-octadeca-9,12-dienoic acid pyrrolidinomethyl ester Formula: C43H75NO4 MolecularWeight: 670.0599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(CC)(CCCCCCC=CCC=CCCCCC)C(=O)OCN1CCCC1

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(CC)(CCCCCC/C=C\C/C=C\CCCCC)C(=O)OCN1CCCC1

InChI

InChI=1S/C43H75NO4/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-36-41(45)48-43(6-3,42(46)47-40-44-38-34-35-39-44)37-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h13-16,19-21,23H,4-12,17-18,22,24-40H2,1-3H3/b15-13+,16-14-,21-19+,23-20-