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

Systemtic Name: 3-butanoyl-3-octadecanoyl-1-oxidanyl-4-oxidanylidene-henicosan-2-olate Openeye Name: 3-butanoyl-1-hydroxy-3-octadecanoyl-4-oxo-henicosan-2-olate CAS Name: 1-hydroxy-4-oxo-3-(1-oxobutyl)-3-(1-oxooctadecyl)-2-heneicosanolate IUPAC Name: 3-butanoyl-1-hydroxy-3-octadecanoyl-4-oxohenicosan-2-olate Traditional Name: 3-butyryl-1-hydroxy-4-keto-3-stearoyl-heneicosan-2-olate Formula: C43H81O5- MolecularWeight: 678.10024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H81O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(46)43(42(48)38-44,39(45)35-6-3)41(47)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h42,44H,4-38H2,1-3H3/q-1