4-(2-octadecanoyloxy-3-oxidanyl-propoxy)-2-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 4-(2-octadecanoyloxy-3-oxidanyl-propoxy)-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-hydroxy-4-(3-hydroxy-2-octadecanoyloxy-propoxy)-4-oxo-butanoate CAS Name: 2-hydroxy-4-[3-hydroxy-2-(1-oxooctadecoxy)propoxy]-4-oxobutanoate IUPAC Name: 2-hydroxy-4-(3-hydroxy-2-octadecanoyloxypropoxy)-4-oxobutanoate Traditional Name: 2-hydroxy-4-(3-hydroxy-2-stearoyloxy-propoxy)-4-keto-butyrate Formula: C25H45O8- MolecularWeight: 473.62

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CC(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CC(C(=O)[O-])O

InChI

InChI=1S/C25H46O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)33-21(19-26)20-32-24(29)18-22(27)25(30)31/h21-22,26-27H,2-20H2,1H3,(H,30,31)/p-1