3-[5-tert-butyl-1,3,3-tris(2-carboxyethyl)-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[5-tert-butyl-1,3,3-tris(2-carboxyethyl)-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[5-tert-butyl-1,3,3-tris(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid CAS Name: 3-[5-tert-butyl-1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid IUPAC Name: 3-[5-tert-butyl-1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid Traditional Name: 3-[5-tert-butyl-1,3,3-tris(2-carboxyethyl)-2-keto-cyclohexyl]propionic acid Formula: C22H34O9 MolecularWeight: 442.49996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O9/c1-20(2,3)14-12-21(8-4-15(23)24,9-5-16(25)26)19(31)22(13-14,10-6-17(27)28)11-7-18(29)30/h14H,4-13H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)