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

Systemtic Name: (E)-3,3-di(octadecanoyl)-1-oxidanyl-henicos-12-en-2-olate Openeye Name: (E)-1-hydroxy-3,3-di(octadecanoyl)henicos-12-en-2-olate CAS Name: (E)-1-hydroxy-3,3-bis(1-oxooctadecyl)-12-heneicosen-2-olate IUPAC Name: (E)-1-hydroxy-3,3-di(octadecanoyl)henicos-12-en-2-olate Traditional Name: (E)-1-hydroxy-3,3-distearoyl-heneicos-12-en-2-olate Formula: C57H109O4- MolecularWeight: 858.47296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H109O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-57(56(61)53-58,54(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25,28,56,58H,4-24,26-27,29-53H2,1-3H3/q-1/b28-25+