(E)-3-octadecanoyl-3-[(E)-octadec-9-enoyl]-1-oxidanyl-4-oxidanylidene-henicos-12-en-2-olate

Systemtic Name: (E)-3-octadecanoyl-3-[(E)-octadec-9-enoyl]-1-oxidanyl-4-oxidanylidene-henicos-12-en-2-olate Openeye Name: (E)-1-hydroxy-3-octadecanoyl-3-[(E)-octadec-9-enoyl]-4-oxo-henicos-12-en-2-olate CAS Name: (E)-1-hydroxy-4-oxo-3-[(E)-1-oxooctadec-9-enyl]-3-(1-oxooctadecyl)-12-heneicosen-2-olate IUPAC Name: (E)-1-hydroxy-3-octadecanoyl-3-[(E)-octadec-9-enoyl]-4-oxohenicos-12-en-2-olate Traditional Name: (E)-1-hydroxy-4-keto-3-[(E)-octadec-9-enoyl]-3-stearoyl-heneicos-12-en-2-olate Formula: C57H105O5- MolecularWeight: 870.4406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H105O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-53(59)57(56(62)52-58,54(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55(61)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-26,28-29,56,58H,4-24,27,30-52H2,1-3H3/q-1/b28-25+,29-26+