(E)-3,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2-diol

Systemtic Name: (E)-3,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2-diol Openeye Name: (E)-3,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2-diol CAS Name: (E)-3,3-bis[(E)-octadec-9-enyl]-12-heneicosene-1,2-diol IUPAC Name: (E)-3,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2-diol Traditional Name: (E)-3,3-bis[(E)-octadec-9-enyl]heneicos-12-ene-1,2-diol Formula: C57H110O2 MolecularWeight: 827.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)(CCCCCCCCC=CCCCCCCCC)C(CO)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(O)CO)(CCCCCCCC/C=C/CCCCCCCC)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H110O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-57(56(59)55-58,53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,56,58-59H,4-24,31-55H2,1-3H3/b28-25+,29-26+,30-27+