2-[2,2-bis(2-carboxybutanoyloxymethyl)butoxycarbonyl]butanoic acid

Systemtic Name: 2-[2,2-bis(2-carboxybutanoyloxymethyl)butoxycarbonyl]butanoic acid Openeye Name: 2-[2,2-bis(2-carboxybutanoyloxymethyl)butoxycarbonyl]butanoic acid CAS Name: 2-[2,2-bis[(2-carboxy-1-oxobutoxy)methyl]butoxy-oxomethyl]butanoic acid IUPAC Name: 2-[2,2-bis(2-carboxybutanoyloxymethyl)butoxycarbonyl]butanoic acid Traditional Name: 2-[2,2-bis(2-carboxybutanoyloxymethyl)butoxycarbonyl]butyric acid Formula: C21H32O12 MolecularWeight: 476.47158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C(=O)OCC(CC)(COC(=O)C(CC)C(=O)O)COC(=O)C(CC)C(=O)O

Isomeric SMILES

CCC(C(=O)O)C(=O)OCC(CC)(COC(=O)C(CC)C(=O)O)COC(=O)C(CC)C(=O)O

InChI

InChI=1S/C21H32O12/c1-5-12(15(22)23)18(28)31-9-21(8-4,10-32-19(29)13(6-2)16(24)25)11-33-20(30)14(7-3)17(26)27/h12-14H,5-11H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)