dioxidanium; azanide; 3,5-bis[bis(oxidanyl)methyl]benzenesulfonic acid; 3,5-bis[bis(oxidanyl)methyl]cyclohexane-1-sulfonic acid; cadmium; cadmium(2+); 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; 4-piperidin-4-ylpiperidin-1-ide; heptahydrate

Systemtic Name: dioxidanium; azanide; 3,5-bis[bis(oxidanyl)methyl]benzenesulfonic acid; 3,5-bis[bis(oxidanyl)methyl]cyclohexane-1-sulfonic acid; cadmium; cadmium(2+); 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; 4-piperidin-4-ylpiperidin-1-ide; heptahydrate Openeye Name: dioxonium; azanide; 3,5-bis(dihydroxymethyl)benzenesulfonic acid; 3,5-bis(dihydroxymethyl)cyclohexanesulfonic acid; cadmium; cadmium(2+); 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; 4-(4-piperidyl)piperidin-1-ide; heptahydrate CAS Name: dioxonium; azanide; 3,5-bis(dihydroxymethyl)benzenesulfonic acid; 3,5-bis(dihydroxymethyl)-1-cyclohexanesulfonic acid; cadmium; cadmium(2+); 4-(4-piperidin-1-idyl)piperidin-1-ide; 4-(4-piperidin-1-idyl)pyridine; 4-(4-piperidin-1-idyl)-2H-pyridin-1-ide; 4-(4-piperidinyl)piperidin-1-ide; heptahydrate IUPAC Name: dioxidanium; azanide; 3,5-bis(dihydroxymethyl)benzenesulfonic acid; 3,5-bis(dihydroxymethyl)cyclohexane-1-sulfonic acid; cadmium; cadmium(2+); 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; 4-piperidin-4-ylpiperidin-1-ide; heptahydrate Traditional Name: dioxonium; azanide; 3,5-bis(dihydroxymethyl)besylic acid; 3,5-bis(dihydroxymethyl)cyclohexanesulfonic acid; cadmium; cadmium(2+); 4-piperidin-1-id-4-ylpiperidin-1-ide; 4-piperidin-1-id-4-ylpyridine; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; 4-(4-piperidyl)piperidin-1-ide; heptahydrate Formula: C56H114Cd11N10O23S2-2 MolecularWeight: 2596.20856

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CC[N-]CC2.C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2=CC[N-]C=C2.C1C[N-]CCC1C2=CC=NC=C2.C1C(CC(CC1C(O)O)S(=O)(=O)O)C(O)O.C1=C(C=C(C=C1C(O)O)S(=O)(=O)O)C(O)O.[NH2-].[NH2-].[OH3+].[OH3+].O.O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd+2].[Cd+2]

Isomeric SMILES

C1CNCCC1C2CC[N-]CC2.C1C[N-]CCC1C2CC[N-]CC2.C1C[N-]CCC1C2=CC[N-]C=C2.C1C[N-]CCC1C2=CC=NC=C2.C1C(CC(CC1C(O)O)S(=O)(=O)O)C(O)O.C1=C(C=C(C=C1C(O)O)S(=O)(=O)O)C(O)O.[NH2-].[NH2-].[OH3+].[OH3+].O.O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd+2].[Cd+2]

InChI

InChI=1S/C10H19N2.C10H18N2.C10H14N2.C10H13N2.C8H16O7S.C8H10O7S.11Cd.2H2N.9H2O/c4*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;;;;;;;;;;;;;;;;;;;;;;/h9-11H,1-8H2;9-10H,1-8H2;1-2,5,10H,3-4,6-8H2;1-2,5-6,10H,3-4,7-8H2;4-12H,1-3H2,(H,13,14,15);1-3,7-12H,(H,13,14,15);;;;;;;;;;;;11*1H2/q-1;2*-2;-1;;;;;;;;;;;;2*+2;2*-1;;;;;;;;;/p+2