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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O9/c19-12(20)2-8-17(9-3-13(21)22)6-1-7-18(16(17)27,10-4-14(23)24)11-5-15(25)26/h1-11H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)