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4,5,6-tricarboxyoxy-3-ethyl-octanoic acid

4,5,6-tricarboxyoxy-3-ethyl-octanoic acid

Systemtic Name:4,5,6-tricarboxyoxy-3-ethyl-octanoic acid
Openeye Name:4,5,6-tricarboxyoxy-3-ethyl-octanoic acid
CAS Name:4,5,6-tricarboxyoxy-3-ethyloctanoic acid
IUPAC Name:4,5,6-tricarboxyoxy-3-ethyloctanoic acid
Traditional Name:4,5,6-tricarboxyoxy-3-ethyl-caprylic acid
Formula: C13H20O11
MolecularWeight: 352.2913
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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)


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