4,5,6-tricarboxyoxy-3-ethyl-octanoate

Systemtic Name: 4,5,6-tricarboxyoxy-3-ethyl-octanoate Openeye Name: 4,5,6-tricarboxyoxy-3-ethyl-octanoate CAS Name: 4,5,6-tricarboxyoxy-3-ethyloctanoate IUPAC Name: 4,5,6-tricarboxyoxy-3-ethyloctanoate Traditional Name: 4,5,6-tricarboxyoxy-3-ethyl-caprylate Formula: C13H19O11- MolecularWeight: 351.28336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)[O-])C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O

Isomeric SMILES

CCC(CC(=O)[O-])C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O

InChI

InChI=1S/C13H20O11/c1-3-6(5-8(14)15)9(23-12(18)19)10(24-13(20)21)7(4-2)22-11(16)17/h6-7,9-10H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/p-1