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

Systemtic Name: 3-ethanoyl-3-octadecanoyl-1-oxidanyl-4-oxidanylidene-henicosan-2-olate Openeye Name: 3-acetyl-1-hydroxy-3-octadecanoyl-4-oxo-henicosan-2-olate CAS Name: 3-acetyl-1-hydroxy-4-oxo-3-(1-oxooctadecyl)-2-heneicosanolate IUPAC Name: 3-acetyl-1-hydroxy-3-octadecanoyl-4-oxohenicosan-2-olate Traditional Name: 3-acetyl-1-hydroxy-4-keto-3-stearoyl-heneicosan-2-olate Formula: C41H77O5- MolecularWeight: 650.04708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H77O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(44)41(37(3)43,40(46)36-42)39(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h40,42H,4-36H2,1-3H3/q-1