3-[1,2,2-tris(2-carboxyethyl)-3-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[1,2,2-tris(2-carboxyethyl)-3-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[1,2,2-tris(2-carboxyethyl)-3-oxo-cyclohexyl]propanoic acid CAS Name: 3-[1,2,2-tris(2-carboxyethyl)-3-oxocyclohexyl]propanoic acid IUPAC Name: 3-[1,2,2-tris(2-carboxyethyl)-3-oxocyclohexyl]propanoic acid Traditional Name: 3-[1,2,2-tris(2-carboxyethyl)-3-keto-cyclohexyl]propionic acid Formula: C18H26O9 MolecularWeight: 386.39364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(C1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1CC(=O)C(C(C1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C18H26O9/c19-12-2-1-7-17(8-3-13(20)21,9-4-14(22)23)18(12,10-5-15(24)25)11-6-16(26)27/h1-11H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)