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

Systemtic Name: 1,3-benzothiazol-3-ium; bis(oxidanidyl)-oxidanylidene-antimony; hexahydrofluoride Openeye Name: 1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride CAS Name: 1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride IUPAC Name: 1,3-benzothiazol-3-ium; dioxido(oxo)antimony; hexahydrofluoride Traditional Name: 1,3-benzothiazol-3-ium; keto(dioxido)antimony; hexahydrofluoride Formula: C84H78F6N12O18S12Sb6 MolecularWeight: 2772.918139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.[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=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.[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/12C7H5NS.6FH.18O.6Sb/c12*1-2-4-7-6(3-1)8-5-9-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1-5H;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;12*-1;;;;;;/p+12