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

Systemtic Name: 1-dodecanoyloxy-2-oxidanyl-propane-1,2,3-tricarboxylic acid Openeye Name: 1-dodecanoyloxy-2-hydroxy-propane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-1-(1-oxododecoxy)propane-1,2,3-tricarboxylic acid IUPAC Name: 1-dodecanoyloxy-2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-hydroxy-1-lauroyloxy-propane-1,2,3-tricarboxylic acid Formula: C18H30O9 MolecularWeight: 390.4254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H30O9/c1-2-3-4-5-6-7-8-9-10-11-14(21)27-15(16(22)23)18(26,17(24)25)12-13(19)20/h15,26H,2-12H2,1H3,(H,19,20)(H,22,23)(H,24,25)