dioxidanium; hexazinc; azanide; 3-[bis(oxidanyl)methyl]-5-carboxy-cyclohexane-1-sulfonate; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc; pentahydrate

Systemtic Name: dioxidanium; hexazinc; azanide; 3-[bis(oxidanyl)methyl]-5-carboxy-cyclohexane-1-sulfonate; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc; pentahydrate Openeye Name: dioxonium; hexazinc; azanide; 3-carboxy-5-(dihydroxymethyl)cyclohexanesulfonate; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc; pentahydrate CAS Name: dioxonium; hexazinc; azanide; 3-carboxy-5-(dihydroxymethyl)-1-cyclohexanesulfonate; 4-(4-piperidin-1-idyl)piperidin-1-ide; 4-(4-piperidin-1-idyl)-2H-pyridin-1-ide; zinc; pentahydrate IUPAC Name: dioxidanium; hexazinc; azanide; 3-carboxy-5-(dihydroxymethyl)cyclohexane-1-sulfonate; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc; pentahydrate Traditional Name: dioxonium; hexazinc; azanide; 3-carboxy-5-(dihydroxymethyl)cyclohexanesulfonate; 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc; pentahydrate Formula: C36H78N6O21S2Zn8+6 MolecularWeight: 1518.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2=CC[N-]C=C2.C1C(CC(CC1C(=O)O)S(=O)(=O)[O-])C(O)O.C1C(CC(CC1C(=O)O)S(=O)(=O)[O-])C(O)O.[NH2-].[NH2-].[OH3+].[OH3+].O.O.O.O.O.[Zn].[Zn].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2=CC[N-]C=C2.C1C(CC(CC1C(=O)O)S(=O)(=O)[O-])C(O)O.C1C(CC(CC1C(=O)O)S(=O)(=O)[O-])C(O)O.[NH2-].[NH2-].[OH3+].[OH3+].O.O.O.O.O.[Zn].[Zn].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/C10H18N2.C10H14N2.2C8H14O7S.2H2N.7H2O.8Zn/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;;;;;;;;;;;;;;;;;/h9-10H,1-8H2;1-2,5,10H,3-4,6-8H2;2*4-7,9-10H,1-3H2,(H,11,12)(H,13,14,15);9*1H2;;;;;;;;/q2*-2;;;2*-1;;;;;;;;;;6*+2