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

Systemtic Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl docosanoate Openeye Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl docosanoate CAS Name: docosanoic 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 docosanoate Traditional Name: behenic acid 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl ester Formula: C61H94O8 MolecularWeight: 955.39426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=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/C61H94O8/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-26-27-30-33-42-49-59(62)65-52-54(67-61(64)51-44-37-35-41-48-58-56(69-58)46-39-32-29-15-12-9-6-3)53-66-60(63)50-43-36-34-40-47-57-55(68-57)45-38-31-28-14-11-8-5-2/h5-6,54-58H,2-4,7-33,38-39,42-46,49-53H2,1H3/t54?,55-,56-,57-,58-/m0/s1