bis(oxidanidyl)-oxidanylidene-antimony; 3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride

Systemtic Name: bis(oxidanidyl)-oxidanylidene-antimony; 3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride Openeye Name: 3-benzyl-1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride CAS Name: dioxido(oxo)antimony; 3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride IUPAC Name: 3-benzyl-1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride Traditional Name: 3-benzyl-1,3-benzothiazol-3-ium; keto(dioxido)antimony; hexahydrofluoride Formula: C168H150F6N12O18S12Sb6 MolecularWeight: 3854.388619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].F.F.F.F.F.F

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].[O-][Sb](=O)[O-].F.F.F.F.F.F

InChI

InChI=1S/12C14H12NS.6FH.18O.6Sb/c12*1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1-9,11H,10H2;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;