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

Systemtic Name: 3-[3,3-bis(2-carboxyethyl)-2-oxidanylidene-cyclododecyl]propanoic acid Openeye Name: 3-[3,3-bis(2-carboxyethyl)-2-oxo-cyclododecyl]propanoic acid CAS Name: 3-[3,3-bis(2-carboxyethyl)-2-oxocyclododecyl]propanoic acid IUPAC Name: 3-[3,3-bis(2-carboxyethyl)-2-oxocyclododecyl]propanoic acid Traditional Name: 3-[3,3-bis(2-carboxyethyl)-2-keto-cyclododecyl]propionic acid Formula: C21H34O7 MolecularWeight: 398.49046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(C(=O)C(CCCC1)(CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1CCCCC(C(=O)C(CCCC1)(CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C21H34O7/c22-17(23)10-9-16-8-6-4-2-1-3-5-7-13-21(20(16)28,14-11-18(24)25)15-12-19(26)27/h16H,1-15H2,(H,22,23)(H,24,25)(H,26,27)