3-(2-oxidanylidenecyclohexyl)propane-1,1,2,3-tetracarboxylic acid

Systemtic Name: 3-(2-oxidanylidenecyclohexyl)propane-1,1,2,3-tetracarboxylic acid Openeye Name: 3-(2-oxocyclohexyl)propane-1,1,2,3-tetracarboxylic acid CAS Name: 3-(2-oxocyclohexyl)propane-1,1,2,3-tetracarboxylic acid IUPAC Name: 3-(2-oxocyclohexyl)propane-1,1,2,3-tetracarboxylic acid Traditional Name: 3-(2-ketocyclohexyl)propane-1,1,2,3-tetracarboxylic acid Formula: C13H16O9 MolecularWeight: 316.26074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C(C(C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(=O)C(C1)C(C(C(C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O9/c14-6-4-2-1-3-5(6)7(10(15)16)8(11(17)18)9(12(19)20)13(21)22/h5,7-9H,1-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)