2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl icosanoate

Systemtic Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl icosanoate Openeye Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl icosanoate CAS Name: eicosanoic acid 2,3-bis[7-[(2S,3S)-3-non-8-enyl-2-oxiranyl]-1-oxohepta-4,6-diynoxy]propyl ester IUPAC Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl icosanoate Traditional Name: arachidic acid 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl ester Formula: C59H90O8 MolecularWeight: 927.3411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC#CC#CC1C(O1)CCCCCCCC=C)OC(=O)CCC#CC#CC2C(O2)CCCCCCCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC#CC#C[C@H]1[C@@H](O1)CCCCCCCC=C)OC(=O)CCC#CC#C[C@H]2[C@@H](O2)CCCCCCCC=C

InChI

InChI=1S/C59H90O8/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-31-40-47-57(60)63-50-52(65-59(62)49-42-35-33-39-46-56-54(67-56)44-37-30-27-15-12-9-6-3)51-64-58(61)48-41-34-32-38-45-55-53(66-55)43-36-29-26-14-11-8-5-2/h5-6,52-56H,2-4,7-31,36-37,40-44,47-51H2,1H3/t52?,53-,54-,55-,56-/m0/s1