5-[[3-(2,2-dimethylbutanoyloxy)-2-oxidanyl-propyl]peroxymethyl]cyclohexane-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-(2,2-dimethylbutanoyloxy)-2-oxidanyl-propyl]peroxymethyl]cyclohexane-1,3-dicarboxylic acid Openeye Name: 5-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propyl]peroxymethyl]cyclohexane-1,3-dicarboxylic acid CAS Name: 5-[[3-(2,2-dimethyl-1-oxobutoxy)-2-hydroxypropyl]dioxymethyl]cyclohexane-1,3-dicarboxylic acid IUPAC Name: 5-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]peroxymethyl]cyclohexane-1,3-dicarboxylic acid Traditional Name: 5-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propyl]peroxymethyl]cyclohexane-1,3-dicarboxylic acid Formula: C18H30O9 MolecularWeight: 390.4254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC(COOCC1CC(CC(C1)C(=O)O)C(=O)O)O

Isomeric SMILES

CCC(C)(C)C(=O)OCC(COOCC1CC(CC(C1)C(=O)O)C(=O)O)O

InChI

InChI=1S/C18H30O9/c1-4-18(2,3)17(24)25-9-14(19)10-27-26-8-11-5-12(15(20)21)7-13(6-11)16(22)23/h11-14,19H,4-10H2,1-3H3,(H,20,21)(H,22,23)