2-[2-[(2-carboxycyclohexyl)carbonyloxymethyl]-2-methyl-3-oxidanyl-3-oxidanylidene-propoxy]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-[2-[(2-carboxycyclohexyl)carbonyloxymethyl]-2-methyl-3-oxidanyl-3-oxidanylidene-propoxy]carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-[2-[(2-carboxycyclohexanecarbonyl)oxymethyl]-3-hydroxy-2-methyl-3-oxo-propoxy]carbonylcyclohexanecarboxylic acid CAS Name: 2-[[2-[[(2-carboxycyclohexyl)-oxomethoxy]methyl]-3-hydroxy-2-methyl-3-oxopropoxy]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-[(2-carboxycyclohexanecarbonyl)oxymethyl]-3-hydroxy-2-methyl-3-oxopropoxy]carbonylcyclohexane-1-carboxylic acid Traditional Name: 2-[2-[(2-carboxycyclohexanecarbonyl)oxymethyl]-3-hydroxy-3-keto-2-methyl-propoxy]carbonylcyclohexanecarboxylic acid Formula: C21H30O10 MolecularWeight: 442.4569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1CCCCC1C(=O)O)(COC(=O)C2CCCCC2C(=O)O)C(=O)O

Isomeric SMILES

CC(COC(=O)C1CCCCC1C(=O)O)(COC(=O)C2CCCCC2C(=O)O)C(=O)O

InChI

InChI=1S/C21H30O10/c1-21(20(28)29,10-30-18(26)14-8-4-2-6-12(14)16(22)23)11-31-19(27)15-9-5-3-7-13(15)17(24)25/h12-15H,2-11H2,1H3,(H,22,23)(H,24,25)(H,28,29)