bis(oxidanidyl)-oxidanylidene-antimony; 2-methylsulfanyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride

Systemtic Name: bis(oxidanidyl)-oxidanylidene-antimony; 2-methylsulfanyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride Openeye Name: 3-benzyl-2-methylsulfanyl-1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride CAS Name: dioxido(oxo)antimony; 2-(methylthio)-3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride IUPAC Name: 3-benzyl-2-methylsulfanyl-1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride Traditional Name: 3-benzyl-2-(methylthio)-1,3-benzothiazol-3-ium; keto(dioxido)antimony; hexahydrofluoride Formula: C180H174F6N12O18S24Sb6 MolecularWeight: 4407.487579

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.[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

CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.[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/12C15H14NS2.6FH.18O.6Sb/c12*1-17-15-16(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-15;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*2-10H,11H2,1H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;