4-(2,3,4-tricarboxycyclohexyl)carbonylperoxycarbonylcyclohexane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(2,3,4-tricarboxycyclohexyl)carbonylperoxycarbonylcyclohexane-1,2,3-tricarboxylic acid Openeye Name: 4-(2,3,4-tricarboxycyclohexanecarbonyl)peroxycarbonylcyclohexane-1,2,3-tricarboxylic acid CAS Name: 4-[oxo-[oxo-(2,3,4-tricarboxycyclohexyl)methyl]dioxymethyl]cyclohexane-1,2,3-tricarboxylic acid IUPAC Name: 4-(2,3,4-tricarboxycyclohexanecarbonyl)peroxycarbonylcyclohexane-1,2,3-tricarboxylic acid Traditional Name: 4-(2,3,4-tricarboxycyclohexanecarbonyl)peroxycarbonylcyclohexane-1,2,3-tricarboxylic acid Formula: C20H22O16 MolecularWeight: 518.37908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)OOC(=O)C2CCC(C(C2C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)OOC(=O)C2CCC(C(C2C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H22O16/c21-13(22)5-1-3-7(11(17(29)30)9(5)15(25)26)19(33)35-36-20(34)8-4-2-6(14(23)24)10(16(27)28)12(8)18(31)32/h5-12H,1-4H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)