3-octadecanoyl-1-oxidanyl-4-oxidanylidene-3-propanoyl-henicosan-2-olate

Systemtic Name: 3-octadecanoyl-1-oxidanyl-4-oxidanylidene-3-propanoyl-henicosan-2-olate Openeye Name: 1-hydroxy-3-octadecanoyl-4-oxo-3-propanoyl-henicosan-2-olate CAS Name: 1-hydroxy-4-oxo-3-(1-oxooctadecyl)-3-(1-oxopropyl)-2-heneicosanolate IUPAC Name: 1-hydroxy-3-octadecanoyl-4-oxo-3-propanoylhenicosan-2-olate Traditional Name: 1-hydroxy-4-keto-3-propionyl-3-stearoyl-heneicosan-2-olate Formula: C42H79O5- MolecularWeight: 664.07366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H79O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(45)42(38(44)6-3,41(47)37-43)40(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41,43H,4-37H2,1-3H3/q-1