4-methyl-5-octanoyloxy-4-oxidanyl-pentane-1,2,3-tricarboxylic acid

Systemtic Name: 4-methyl-5-octanoyloxy-4-oxidanyl-pentane-1,2,3-tricarboxylic acid Openeye Name: 4-hydroxy-4-methyl-5-octanoyloxy-pentane-1,2,3-tricarboxylic acid CAS Name: 4-hydroxy-4-methyl-5-(1-oxooctoxy)pentane-1,2,3-tricarboxylic acid IUPAC Name: 4-hydroxy-4-methyl-5-octanoyloxypentane-1,2,3-tricarboxylic acid Traditional Name: 5-caprylyloxy-4-hydroxy-4-methyl-pentane-1,2,3-tricarboxylic acid Formula: C17H28O9 MolecularWeight: 376.39882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C)(C(C(CC(=O)O)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC(C)(C(C(CC(=O)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C17H28O9/c1-3-4-5-6-7-8-13(20)26-10-17(2,25)14(16(23)24)11(15(21)22)9-12(18)19/h11,14,25H,3-10H2,1-2H3,(H,18,19)(H,21,22)(H,23,24)