2-[3-(2-carboxycyclohexyl)carbonyloxy-2,2-bis[(2-carboxycyclohexyl)carbonyloxymethyl]propoxy]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-[3-(2-carboxycyclohexyl)carbonyloxy-2,2-bis[(2-carboxycyclohexyl)carbonyloxymethyl]propoxy]carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-[3-(2-carboxycyclohexanecarbonyl)oxy-2,2-bis[(2-carboxycyclohexanecarbonyl)oxymethyl]propoxy]carbonylcyclohexanecarboxylic acid CAS Name: 2-[[3-[(2-carboxycyclohexyl)-oxomethoxy]-2,2-bis[[(2-carboxycyclohexyl)-oxomethoxy]methyl]propoxy]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[3-(2-carboxycyclohexanecarbonyl)oxy-2,2-bis[(2-carboxycyclohexanecarbonyl)oxymethyl]propoxy]carbonylcyclohexane-1-carboxylic acid Traditional Name: 2-[3-(2-carboxycyclohexanecarbonyl)oxy-2,2-bis[(2-carboxycyclohexanecarbonyl)oxymethyl]propoxy]carbonylcyclohexanecarboxylic acid Formula: C37H52O16 MolecularWeight: 752.79918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)C(=O)OCC(COC(=O)C2CCCCC2C(=O)O)(COC(=O)C3CCCCC3C(=O)O)COC(=O)C4CCCCC4C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)O)C(=O)OCC(COC(=O)C2CCCCC2C(=O)O)(COC(=O)C3CCCCC3C(=O)O)COC(=O)C4CCCCC4C(=O)O

InChI

InChI=1S/C37H52O16/c38-29(39)21-9-1-5-13-25(21)33(46)50-17-37(18-51-34(47)26-14-6-2-10-22(26)30(40)41,19-52-35(48)27-15-7-3-11-23(27)31(42)43)20-53-36(49)28-16-8-4-12-24(28)32(44)45/h21-28H,1-20H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)