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

Systemtic Name: 2-[2,2-bis[(2-carboxycyclohexyl)carbonyloxymethyl]-3-oxidanyl-propoxy]carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-[2,2-bis[(2-carboxycyclohexanecarbonyl)oxymethyl]-3-hydroxy-propoxy]carbonylcyclohexanecarboxylic acid CAS Name: 2-[[2,2-bis[[(2-carboxycyclohexyl)-oxomethoxy]methyl]-3-hydroxypropoxy]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2,2-bis[(2-carboxycyclohexanecarbonyl)oxymethyl]-3-hydroxypropoxy]carbonylcyclohexane-1-carboxylic acid Traditional Name: 2-[2,2-bis[(2-carboxycyclohexanecarbonyl)oxymethyl]-3-hydroxy-propoxy]carbonylcyclohexanecarboxylic acid Formula: C29H42O13 MolecularWeight: 598.63598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O13/c30-13-29(14-40-26(37)20-10-4-1-7-17(20)23(31)32,15-41-27(38)21-11-5-2-8-18(21)24(33)34)16-42-28(39)22-12-6-3-9-19(22)25(35)36/h17-22,30H,1-16H2,(H,31,32)(H,33,34)(H,35,36)