3-[[4-(2,2-dimethylbutanoyloxymethyl)-2-(propan-2-yloxymethoxy)cyclohexyl]oxymethoxy]propanoic acid

Systemtic Name: 3-[[4-(2,2-dimethylbutanoyloxymethyl)-2-(propan-2-yloxymethoxy)cyclohexyl]oxymethoxy]propanoic acid Openeye Name: 3-[[4-(2,2-dimethylbutanoyloxymethyl)-2-(isopropoxymethoxy)cyclohexoxy]methoxy]propanoic acid CAS Name: 3-[[4-[(2,2-dimethyl-1-oxobutoxy)methyl]-2-(propan-2-yloxymethoxy)cyclohexyl]oxymethoxy]propanoic acid IUPAC Name: 3-[[4-(2,2-dimethylbutanoyloxymethyl)-2-(propan-2-yloxymethoxy)cyclohexyl]oxymethoxy]propanoic acid Traditional Name: 3-[[4-(2,2-dimethylbutanoyloxymethyl)-2-(isopropoxymethoxy)cyclohexoxy]methoxy]propionic acid Formula: C21H38O8 MolecularWeight: 418.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC1CCC(C(C1)OCOC(C)C)OCOCCC(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)OCC1CCC(C(C1)OCOC(C)C)OCOCCC(=O)O

InChI

InChI=1S/C21H38O8/c1-6-21(4,5)20(24)26-12-16-7-8-17(28-13-25-10-9-19(22)23)18(11-16)29-14-27-15(2)3/h15-18H,6-14H2,1-5H3,(H,22,23)