3-[1,3,3-tris(2-carboxyethyl)-4-methyl-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[1,3,3-tris(2-carboxyethyl)-4-methyl-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[1,3,3-tris(2-carboxyethyl)-4-methyl-2-oxo-cyclohexyl]propanoic acid CAS Name: 3-[1,3,3-tris(2-carboxyethyl)-4-methyl-2-oxocyclohexyl]propanoic acid IUPAC Name: 3-[1,3,3-tris(2-carboxyethyl)-4-methyl-2-oxocyclohexyl]propanoic acid Traditional Name: 3-[1,3,3-tris(2-carboxyethyl)-2-keto-4-methyl-cyclohexyl]propionic acid Formula: C19H28O9 MolecularWeight: 400.42022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC1CCC(C(=O)C1(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C19H28O9/c1-12-2-7-18(8-3-13(20)21,9-4-14(22)23)17(28)19(12,10-5-15(24)25)11-6-16(26)27/h12H,2-11H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)