trizinc; cyclohexane-1,4-dicarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; heptahydrate

Systemtic Name: trizinc; cyclohexane-1,4-dicarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; heptahydrate Openeye Name: trizinc; cyclohexane-1,4-dicarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; heptahydrate CAS Name: trizinc; cyclohexane-1,4-dicarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; heptahydrate IUPAC Name: trizinc; cyclohexane-1,4-dicarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; heptahydrate Traditional Name: trizinc; cyclohexane-1,4-dicarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; heptahydrate Formula: C54H106N6O19Zn4 MolecularWeight: 1405.08424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC(CCC1C(=O)O)C(=O)O.C1CC(CCC1C(=O)O)C(=O)O.C1CC(CCC1C(=O)O)C(=O)O.C1C=CC=C[N-]1.O.O.O.O.O.O.O.[Zn].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC(CCC1C(=O)O)C(=O)O.C1CC(CCC1C(=O)O)C(=O)O.C1CC(CCC1C(=O)O)C(=O)O.C1C=CC=C[N-]1.O.O.O.O.O.O.O.[Zn].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/3C8H12O4.5C5H10N.C5H6N.7H2O.4Zn/c3*9-7(10)5-1-2-6(4-3-5)8(11)12;6*1-2-4-6-5-3-1;;;;;;;;;;;/h3*5-6H,1-4H2,(H,9,10)(H,11,12);5*1-5H2;1-4H,5H2;7*1H2;;;;/q;;;6*-1;;;;;;;;;3*+2