bis(oxidanidyl)-oxidanylidene-antimony; 5-chloranyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride

Systemtic Name: bis(oxidanidyl)-oxidanylidene-antimony; 5-chloranyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium; hexahydrofluoride Openeye Name: 3-benzyl-5-chloro-1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride CAS Name: 5-chloro-3-(phenylmethyl)-1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride IUPAC Name: 3-benzyl-5-chloro-1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride Traditional Name: 3-benzyl-5-chloro-1,3-benzothiazol-3-ium; keto(dioxido)antimony; hexahydrofluoride Formula: C168H138Cl12F6N12O18S12Sb6 MolecularWeight: 4267.729339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.[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=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.C1=CC=C(C=C1)C[N+]2=CSC3=C2C=C(C=C3)Cl.[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/12C14H11ClNS.6FH.18O.6Sb/c12*15-12-6-7-14-13(8-12)16(10-17-14)9-11-4-2-1-3-5-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1-8,10H,9H2;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;