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1-(4,5,6-tricarboxyoxyoctan-3-yl)cyclohexane-1-carboxylic acid

1-(4,5,6-tricarboxyoxyoctan-3-yl)cyclohexane-1-carboxylic acid

Systemtic Name:1-(4,5,6-tricarboxyoxyoctan-3-yl)cyclohexane-1-carboxylic acid
Openeye Name:1-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)cyclohexanecarboxylic acid
CAS Name:1-(4,5,6-tricarboxyoxyoctan-3-yl)-1-cyclohexanecarboxylic acid
IUPAC Name:1-(4,5,6-tricarboxyoxyoctan-3-yl)cyclohexane-1-carboxylic acid
Traditional Name:1-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)cyclohexanecarboxylic acid
Formula: C18H28O11
MolecularWeight: 420.40832
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)C1(CCCCC1)C(=O)O


Isomeric SMILES

CCC(C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)C1(CCCCC1)C(=O)O


InChI

InChI=1S/C18H28O11/c1-3-10(18(14(19)20)8-6-5-7-9-18)12(28-16(23)24)13(29-17(25)26)11(4-2)27-15(21)22/h10-13H,3-9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)


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