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

Systemtic Name: 3-[3-(2,2-dimethylbutanoyloxy)-2-oxidanyl-propoxy]carbonylcyclohexane-1-carboxylic acid Openeye Name: 3-[3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propoxy]carbonylcyclohexanecarboxylic acid CAS Name: 3-[[3-(2,2-dimethyl-1-oxobutoxy)-2-hydroxypropoxy]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1-carboxylic acid Traditional Name: 3-[3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propoxy]carbonylcyclohexanecarboxylic acid Formula: C17H28O7 MolecularWeight: 344.40002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC(COC(=O)C1CCCC(C1)C(=O)O)O

Isomeric SMILES

CCC(C)(C)C(=O)OCC(COC(=O)C1CCCC(C1)C(=O)O)O

InChI

InChI=1S/C17H28O7/c1-4-17(2,3)16(22)24-10-13(18)9-23-15(21)12-7-5-6-11(8-12)14(19)20/h11-13,18H,4-10H2,1-3H3,(H,19,20)