2-[2,3-bis(oxidanyl)propanoyl]-2,3,3-tris(oxidanyl)octadecanoate

Systemtic Name: 2-[2,3-bis(oxidanyl)propanoyl]-2,3,3-tris(oxidanyl)octadecanoate Openeye Name: 2-(2,3-dihydroxypropanoyl)-2,3,3-trihydroxy-octadecanoate CAS Name: 2-(2,3-dihydroxy-1-oxopropyl)-2,3,3-trihydroxyoctadecanoate IUPAC Name: 2-(2,3-dihydroxypropanoyl)-2,3,3-trihydroxyoctadecanoate Traditional Name: 2-glyceroyl-2,3,3-trihydroxy-stearate Formula: C21H39O8- MolecularWeight: 419.52956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C(=O)C(CO)O)(C(=O)[O-])O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C(=O)C(CO)O)(C(=O)[O-])O)(O)O

InChI

InChI=1S/C21H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27,28)21(29,19(25)26)18(24)17(23)16-22/h17,22-23,27-29H,2-16H2,1H3,(H,25,26)/p-1