5-[3-(2,2-dimethylbutanoyloxy)-2-oxidanyl-propoxy]carbonylcyclohexane-1,3-dicarboxylic acid

Systemtic Name: 5-[3-(2,2-dimethylbutanoyloxy)-2-oxidanyl-propoxy]carbonylcyclohexane-1,3-dicarboxylic acid Openeye Name: 5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propoxy]carbonylcyclohexane-1,3-dicarboxylic acid CAS Name: 5-[[3-(2,2-dimethyl-1-oxobutoxy)-2-hydroxypropoxy]-oxomethyl]cyclohexane-1,3-dicarboxylic acid IUPAC Name: 5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid Traditional Name: 5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propoxy]carbonylcyclohexane-1,3-dicarboxylic acid Formula: C18H28O9 MolecularWeight: 388.40952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O9/c1-4-18(2,3)17(25)27-9-13(19)8-26-16(24)12-6-10(14(20)21)5-11(7-12)15(22)23/h10-13,19H,4-9H2,1-3H3,(H,20,21)(H,22,23)