3-hexadecyl-3-[(E)-octadec-9-en-2-yl]-1-oxidanyl-henicosan-2-olate

Systemtic Name: 3-hexadecyl-3-[(E)-octadec-9-en-2-yl]-1-oxidanyl-henicosan-2-olate Openeye Name: 3-hexadecyl-1-hydroxy-3-[(E)-1-methylheptadec-8-enyl]henicosan-2-olate CAS Name: 3-hexadecyl-1-hydroxy-3-[(E)-octadec-9-en-2-yl]-2-heneicosanolate IUPAC Name: 3-hexadecyl-1-hydroxy-3-[(E)-octadec-9-en-2-yl]henicosan-2-olate Traditional Name: (E)-3-cetyl-1-hydroxy-4-methyl-3-stearyl-eicos-11-en-2-olate Formula: C55H109O2- MolecularWeight: 802.45276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(C(C)CCCCCCC=CCCCCCCCC)C(CO)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C55H109O2/c1-5-8-11-14-17-20-23-26-29-30-33-36-39-42-45-48-51-55(54(57)52-56,50-47-44-41-38-35-32-28-25-22-19-16-13-10-7-3)53(4)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-2/h27,31,53-54,56H,5-26,28-30,32-52H2,1-4H3/q-1/b31-27+