3-[3,3-bis(2-carboxyethyl)-2-oxidanylidene-cyclotridecyl]propanoic acid

Systemtic Name: 3-[3,3-bis(2-carboxyethyl)-2-oxidanylidene-cyclotridecyl]propanoic acid Openeye Name: 3-[3,3-bis(2-carboxyethyl)-2-oxo-cyclotridecyl]propanoic acid CAS Name: 3-[3,3-bis(2-carboxyethyl)-2-oxocyclotridecyl]propanoic acid IUPAC Name: 3-[3,3-bis(2-carboxyethyl)-2-oxocyclotridecyl]propanoic acid Traditional Name: 3-[3,3-bis(2-carboxyethyl)-2-keto-cyclotridecyl]propionic acid Formula: C22H36O7 MolecularWeight: 412.51704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(C(=O)C(CCCC1)CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1CCCCCC(C(=O)C(CCCC1)CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C22H36O7/c23-18(24)11-10-17-9-7-5-3-1-2-4-6-8-14-22(21(17)29,15-12-19(25)26)16-13-20(27)28/h17H,1-16H2,(H,23,24)(H,25,26)(H,27,28)