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

Systemtic Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl octadecanoate Openeye Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl octadecanoate CAS Name: octadecanoic 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 octadecanoate Traditional Name: stearic acid 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl ester Formula: C57H86O8 MolecularWeight: 899.28794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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/C57H86O8/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-29-38-45-55(58)61-48-50(63-57(60)47-40-33-31-37-44-54-52(65-54)42-35-28-25-15-12-9-6-3)49-62-56(59)46-39-32-30-36-43-53-51(64-53)41-34-27-24-14-11-8-5-2/h5-6,50-54H,2-4,7-29,34-35,38-42,45-49H2,1H3/t50?,51-,52-,53-,54-/m0/s1