1-hexadecanoyloxy-2-oxidanyl-propane-1,2,3-tricarboxylic acid

Systemtic Name: 1-hexadecanoyloxy-2-oxidanyl-propane-1,2,3-tricarboxylic acid Openeye Name: 1-hexadecanoyloxy-2-hydroxy-propane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-1-(1-oxohexadecoxy)propane-1,2,3-tricarboxylic acid IUPAC Name: 1-hexadecanoyloxy-2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 1-hexadecanoyloxy-2-hydroxy-propane-1,2,3-tricarboxylic acid Formula: C22H38O9 MolecularWeight: 446.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H38O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)31-19(20(26)27)22(30,21(28)29)16-17(23)24/h19,30H,2-16H2,1H3,(H,23,24)(H,26,27)(H,28,29)