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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(C1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1CCC(C(=O)C(C1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C19H28O9/c20-13(21)3-9-18(10-4-14(22)23)7-1-2-8-19(17(18)28,11-5-15(24)25)12-6-16(26)27/h1-12H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)