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

Systemtic Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl hexadecanoate Openeye Name: 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl hexadecanoate CAS Name: hexadecanoic 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 hexadecanoate Traditional Name: palmitic acid 2,3-bis[7-[(2S,3S)-3-non-8-enyloxiran-2-yl]hepta-4,6-diynoyloxy]propyl ester Formula: C55H82O8 MolecularWeight: 871.23478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=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/C55H82O8/c1-4-7-10-13-16-17-18-19-20-21-24-27-36-43-53(56)59-46-48(61-55(58)45-38-31-29-35-42-52-50(63-52)40-33-26-23-15-12-9-6-3)47-60-54(57)44-37-30-28-34-41-51-49(62-51)39-32-25-22-14-11-8-5-2/h5-6,48-52H,2-4,7-27,32-33,36-40,43-47H2,1H3/t48?,49-,50-,51-,52-/m0/s1