2-[3-(2-carboxycyclohexyl)carbonyloxy-2-(2-carboxylatocyclohexyl)carbonyloxy-propoxy]carbonylcyclohexane-1-carboxylate

Systemtic Name: 2-[3-(2-carboxycyclohexyl)carbonyloxy-2-(2-carboxylatocyclohexyl)carbonyloxy-propoxy]carbonylcyclohexane-1-carboxylate Openeye Name: 2-[3-(2-carboxycyclohexanecarbonyl)oxy-2-(2-carboxylatocyclohexanecarbonyl)oxy-propoxy]carbonylcyclohexanecarboxylate CAS Name: 2-[[3-[(2-carboxycyclohexyl)-oxomethoxy]-2-[(2-carboxylatocyclohexyl)-oxomethoxy]propoxy]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: 2-[3-(2-carboxycyclohexanecarbonyl)oxy-2-(2-carboxylatocyclohexanecarbonyl)oxypropoxy]carbonylcyclohexane-1-carboxylate Traditional Name: 2-[3-(2-carboxycyclohexanecarbonyl)oxy-2-(2-carboxylatocyclohexanecarbonyl)oxy-propoxy]carbonylcyclohexanecarboxylate Formula: C27H36O12-2 MolecularWeight: 552.56754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)C(=O)OCC(COC(=O)C2CCCCC2C(=O)[O-])OC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)O)C(=O)OCC(COC(=O)C2CCCCC2C(=O)[O-])OC(=O)C3CCCCC3C(=O)[O-]

InChI

InChI=1S/C27H38O12/c28-22(29)16-7-1-4-10-19(16)25(34)37-13-15(39-27(36)21-12-6-3-9-18(21)24(32)33)14-38-26(35)20-11-5-2-8-17(20)23(30)31/h15-21H,1-14H2,(H,28,29)(H,30,31)(H,32,33)/p-2