4-[3-(3,4-dicarboxycyclohexyl)-3-oxidanyl-cyclohexyl]cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 4-[3-(3,4-dicarboxycyclohexyl)-3-oxidanyl-cyclohexyl]cyclohexane-1,2-dicarboxylic acid Openeye Name: 4-[3-(3,4-dicarboxycyclohexyl)-3-hydroxy-cyclohexyl]cyclohexane-1,2-dicarboxylic acid CAS Name: 4-[3-(3,4-dicarboxycyclohexyl)-3-hydroxycyclohexyl]cyclohexane-1,2-dicarboxylic acid IUPAC Name: 4-[3-(3,4-dicarboxycyclohexyl)-3-hydroxycyclohexyl]cyclohexane-1,2-dicarboxylic acid Traditional Name: 4-[3-(3,4-dicarboxycyclohexyl)-3-hydroxy-cyclohexyl]cyclohexane-1,2-dicarboxylic acid Formula: C22H32O9 MolecularWeight: 440.48408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(C2CCC(C(C2)C(=O)O)C(=O)O)O)C3CCC(C(C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CC(C1)(C2CCC(C(C2)C(=O)O)C(=O)O)O)C3CCC(C(C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H32O9/c23-18(24)14-5-3-11(8-16(14)20(27)28)12-2-1-7-22(31,10-12)13-4-6-15(19(25)26)17(9-13)21(29)30/h11-17,31H,1-10H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)