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

Systemtic Name: 1-octanoyloxy-2-oxidanyl-propane-1,2,3-tricarboxylic acid Openeye Name: 2-hydroxy-1-octanoyloxy-propane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-1-(1-oxooctoxy)propane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxy-1-octanoyloxypropane-1,2,3-tricarboxylic acid Traditional Name: 1-caprylyloxy-2-hydroxy-propane-1,2,3-tricarboxylic acid Formula: C14H22O9 MolecularWeight: 334.31908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H22O9/c1-2-3-4-5-6-7-10(17)23-11(12(18)19)14(22,13(20)21)8-9(15)16/h11,22H,2-8H2,1H3,(H,15,16)(H,18,19)(H,20,21)