2-[2,3-bis[(2-carboxycyclohexyl)carbonyloxy]propoxycarbonyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[2,3-bis[(2-carboxycyclohexyl)carbonyloxy]propoxycarbonyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2,3-bis[(2-carboxycyclohexanecarbonyl)oxy]propoxycarbonyl]cyclohexanecarboxylic acid CAS Name: 2-[2,3-bis[(2-carboxycyclohexyl)-oxomethoxy]propoxy-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2,3-bis[(2-carboxycyclohexanecarbonyl)oxy]propoxycarbonyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2,3-bis[(2-carboxycyclohexanecarbonyl)oxy]propoxycarbonyl]cyclohexanecarboxylic acid Formula: C27H38O12 MolecularWeight: 554.58342

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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)