5-oxidanylidene-5-tridecoxy-pentane-1,2,3-tricarboxylic acid

Systemtic Name: 5-oxidanylidene-5-tridecoxy-pentane-1,2,3-tricarboxylic acid Openeye Name: 5-oxo-5-tridecoxy-pentane-1,2,3-tricarboxylic acid CAS Name: 5-oxo-5-tridecoxypentane-1,2,3-tricarboxylic acid IUPAC Name: 5-oxo-5-tridecoxypentane-1,2,3-tricarboxylic acid Traditional Name: 5-keto-5-tridecoxy-pentane-1,2,3-tricarboxylic acid Formula: C21H36O8 MolecularWeight: 416.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H36O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-29-19(24)15-17(21(27)28)16(20(25)26)14-18(22)23/h16-17H,2-15H2,1H3,(H,22,23)(H,25,26)(H,27,28)