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

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

Systemtic Name:4,5,6-tricarboxyoxy-3-ethyl-2-(3-oxidanylidenebutyl)octanoic acid
Openeye Name:4,5,6-tricarboxyoxy-3-ethyl-2-(3-oxobutyl)octanoic acid
CAS Name:4,5,6-tricarboxyoxy-3-ethyl-2-(3-oxobutyl)octanoic acid
IUPAC Name:4,5,6-tricarboxyoxy-3-ethyl-2-(3-oxobutyl)octanoic acid
Traditional Name:4,5,6-tricarboxyoxy-3-ethyl-2-(3-ketobutyl)caprylic acid
Formula: C17H26O12
MolecularWeight: 422.38114
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H26O12/c1-4-9(10(14(19)20)7-6-8(3)18)12(28-16(23)24)13(29-17(25)26)11(5-2)27-15(21)22/h9-13H,4-7H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)


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