3-[1,2,2-tris(2-carboxyethyl)-6-methyl-3-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[1,2,2-tris(2-carboxyethyl)-6-methyl-3-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[1,2,2-tris(2-carboxyethyl)-6-methyl-3-oxo-cyclohexyl]propanoic acid CAS Name: 3-[1,2,2-tris(2-carboxyethyl)-6-methyl-3-oxocyclohexyl]propanoic acid IUPAC Name: 3-[1,2,2-tris(2-carboxyethyl)-6-methyl-3-oxocyclohexyl]propanoic acid Traditional Name: 3-[1,2,2-tris(2-carboxyethyl)-3-keto-6-methyl-cyclohexyl]propionic acid Formula: C19H28O9 MolecularWeight: 400.42022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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