(E)-3,3-dioctadecyl-1-oxidanyl-henicos-12-en-2-olate

Systemtic Name: (E)-3,3-dioctadecyl-1-oxidanyl-henicos-12-en-2-olate Openeye Name: (E)-1-hydroxy-3,3-dioctadecyl-henicos-12-en-2-olate CAS Name: (E)-1-hydroxy-3,3-dioctadecyl-12-heneicosen-2-olate IUPAC Name: (E)-1-hydroxy-3,3-dioctadecylhenicos-12-en-2-olate Traditional Name: (E)-1-hydroxy-3,3-distearyl-heneicos-12-en-2-olate Formula: C57H113O2- MolecularWeight: 830.50592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CCCCCCCCC=CCCCCCCCC)C(CO)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CCCCCCCC/C=C/CCCCCCCC)C(CO)[O-]

InChI

InChI=1S/C57H113O2/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/h25,28,56,58H,4-24,26-27,29-55H2,1-3H3/q-1/b28-25+