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2-(4,5,6-tricarboxyoxyoctan-3-yl)benzoic acid

2-(4,5,6-tricarboxyoxyoctan-3-yl)benzoic acid

Systemtic Name:2-(4,5,6-tricarboxyoxyoctan-3-yl)benzoic acid
Openeye Name:2-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)benzoic acid
CAS Name:2-(4,5,6-tricarboxyoxyoctan-3-yl)benzoic acid
IUPAC Name:2-(4,5,6-tricarboxyoxyoctan-3-yl)benzoic acid
Traditional Name:2-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)benzoic acid
Formula: C18H22O11
MolecularWeight: 414.36068
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


Isomeric SMILES

CCC(C1=CC=CC=C1C(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


InChI

InChI=1S/C18H22O11/c1-3-9(10-7-5-6-8-11(10)15(19)20)13(28-17(23)24)14(29-18(25)26)12(4-2)27-16(21)22/h5-9,12-14H,3-4H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)


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