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

Systemtic Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl henicosanoate Openeye Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl henicosanoate CAS Name: heneicosanoic 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 henicosanoate Traditional Name: heneicosanoic acid 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl ester Formula: C60H92O8 MolecularWeight: 941.36768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=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/C60H92O8/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-26-29-32-41-48-58(61)64-51-53(66-60(63)50-43-36-34-40-47-57-55(68-57)45-38-31-28-15-12-9-6-3)52-65-59(62)49-42-35-33-39-46-56-54(67-56)44-37-30-27-14-11-8-5-2/h5-6,53-57H,2-4,7-32,37-38,41-45,48-52H2,1H3/t53?,54-,55-,56-,57-/m0/s1