3-(carboxymethyl)-3-oxidanyl-pentanedioic acid; octadecanoic acid; propane-1,2,3-triol

Systemtic Name: 3-(carboxymethyl)-3-oxidanyl-pentanedioic acid; octadecanoic acid; propane-1,2,3-triol Openeye Name: 3-(carboxymethyl)-3-hydroxy-pentanedioic acid; glycerol; stearic acid CAS Name: 3-(carboxymethyl)-3-hydroxypentanedioic acid; octadecanoic acid; propane-1,2,3-triol IUPAC Name: 3-(carboxymethyl)-3-hydroxypentanedioic acid; octadecanoic acid; propane-1,2,3-triol Traditional Name: 3-(carboxymethyl)-3-hydroxy-glutaric acid; glycerol; stearic acid Formula: C28H54O12 MolecularWeight: 582.72116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)O)O.C(C(=O)O)C(CC(=O)O)(CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)O)O.C(C(=O)O)C(CC(=O)O)(CC(=O)O)O

InChI

InChI=1S/C18H36O2.C7H10O7.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4(9)1-7(14,2-5(10)11)3-6(12)13;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);14H,1-3H2,(H,8,9)(H,10,11)(H,12,13);3-6H,1-2H2