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4,5,6-tricarboxyoxy-3-ethyl-2-(4-oxidanylidenepentyl)octanoic acid

4,5,6-tricarboxyoxy-3-ethyl-2-(4-oxidanylidenepentyl)octanoic acid

Systemtic Name:4,5,6-tricarboxyoxy-3-ethyl-2-(4-oxidanylidenepentyl)octanoic acid
Openeye Name:4,5,6-tricarboxyoxy-3-ethyl-2-(4-oxopentyl)octanoic acid
CAS Name:4,5,6-tricarboxyoxy-3-ethyl-2-(4-oxopentyl)octanoic acid
IUPAC Name:4,5,6-tricarboxyoxy-3-ethyl-2-(4-oxopentyl)octanoic acid
Traditional Name:4,5,6-tricarboxyoxy-3-ethyl-2-(4-ketopentyl)caprylic acid
Formula: C18H28O12
MolecularWeight: 436.40772
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCC(=O)C)C(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


Isomeric SMILES

CCC(C(CCCC(=O)C)C(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


InChI

InChI=1S/C18H28O12/c1-4-10(11(15(20)21)8-6-7-9(3)19)13(29-17(24)25)14(30-18(26)27)12(5-2)28-16(22)23/h10-14H,4-8H2,1-3H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)


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