2-acetyloxyhexadecane-1,2,3-tricarboxylic acid

Systemtic Name: 2-acetyloxyhexadecane-1,2,3-tricarboxylic acid Openeye Name: 2-acetoxyhexadecane-1,2,3-tricarboxylic acid CAS Name: 2-acetyloxyhexadecane-1,2,3-tricarboxylic acid IUPAC Name: 2-acetyloxyhexadecane-1,2,3-tricarboxylic acid Traditional Name: 2-acetoxyhexadecane-1,2,3-tricarboxylic acid Formula: C21H36O8 MolecularWeight: 416.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)OC(=O)C

InChI

InChI=1S/C21H36O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19(25)26)21(20(27)28,15-18(23)24)29-16(2)22/h17H,3-15H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)