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

Systemtic Name: 3-octadecanoyl-1-oxidanyl-4-oxidanylidene-henicosan-2-olate Openeye Name: 1-hydroxy-3-octadecanoyl-4-oxo-henicosan-2-olate CAS Name: 1-hydroxy-4-oxo-3-(1-oxooctadecyl)-2-heneicosanolate IUPAC Name: 1-hydroxy-3-octadecanoyl-4-oxohenicosan-2-olate Traditional Name: 1-hydroxy-4-keto-3-stearoyl-heneicosan-2-olate Formula: C39H75O4- MolecularWeight: 608.0104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H75O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(41)39(38(43)35-40)37(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-40H,3-35H2,1-2H3/q-1