11-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-11-(10-oxidanidyl-10-oxidanylidene-decyl)henicosanedioate

Systemtic Name: 11-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-11-(10-oxidanidyl-10-oxidanylidene-decyl)henicosanedioate Openeye Name: 11-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-11-(10-oxido-10-oxo-decyl)henicosanedioate CAS Name: 11-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-11-(10-oxido-10-oxodecyl)heneicosanedioate IUPAC Name: 11-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-11-(10-oxido-10-oxodecyl)henicosanedioate Traditional Name: 11-(3-hydroxy-2,2-dimethylol-propyl)-11-(10-keto-10-oxido-decyl)japanate Formula: C36H65O9-3 MolecularWeight: 641.8959

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCC(=O)[O-])CCCCC(CCCCCCCCCC(=O)[O-])(CCCCCCCCCC(=O)[O-])CC(CO)(CO)CO

Isomeric SMILES

C(CCCCC(=O)[O-])CCCCC(CCCCCCCCCC(=O)[O-])(CCCCCCCCCC(=O)[O-])CC(CO)(CO)CO

InChI

InChI=1S/C36H68O9/c37-29-36(30-38,31-39)28-35(25-19-13-7-1-4-10-16-22-32(40)41,26-20-14-8-2-5-11-17-23-33(42)43)27-21-15-9-3-6-12-18-24-34(44)45/h37-39H,1-31H2,(H,40,41)(H,42,43)(H,44,45)/p-3