4-nonadecyl-1-oxidanyl-5-[(E)-pentadec-6-enyl]tricosan-2-olate

Systemtic Name: 4-nonadecyl-1-oxidanyl-5-[(E)-pentadec-6-enyl]tricosan-2-olate Openeye Name: 1-hydroxy-4-nonadecyl-5-[(E)-pentadec-6-enyl]tricosan-2-olate CAS Name: 1-hydroxy-4-nonadecyl-5-[(E)-pentadec-6-enyl]-2-tricosanolate IUPAC Name: 1-hydroxy-4-nonadecyl-5-[(E)-pentadec-6-enyl]tricosan-2-olate Traditional Name: (E)-1-hydroxy-4-nonadecyl-5-stearyl-eicos-11-en-2-olate Formula: C57H113O2- MolecularWeight: 830.50592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(CO)[O-])C(CCCCCCCCCCCCCCCCCC)CCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(CO)[O-])C(CCCCCCCCCCCCCCCCCC)CCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H113O2/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-56(53-57(59)54-58)55(50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h32,35,55-58H,4-31,33-34,36-54H2,1-3H3/q-1/b35-32+