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

Systemtic Name: 2,2,3-tris[2,3-bis(oxidanyl)propanoyl]octanoic acid Openeye Name: 2,2,3-tris(2,3-dihydroxypropanoyl)octanoic acid CAS Name: 2,2,3-tris(2,3-dihydroxy-1-oxopropyl)octanoic acid IUPAC Name: 2,2,3-tris(2,3-dihydroxypropanoyl)octanoic acid Traditional Name: 2,2,3-triglyceroylcaprylic acid Formula: C17H28O11 MolecularWeight: 408.39762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C(CO)O)C(C(=O)C(CO)O)(C(=O)C(CO)O)C(=O)O

Isomeric SMILES

CCCCCC(C(=O)C(CO)O)C(C(=O)C(CO)O)(C(=O)C(CO)O)C(=O)O

InChI

InChI=1S/C17H28O11/c1-2-3-4-5-9(13(24)10(21)6-18)17(16(27)28,14(25)11(22)7-19)15(26)12(23)8-20/h9-12,18-23H,2-8H2,1H3,(H,27,28)