bis(oxidanidyl)-oxidanylidene-antimony; 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-3-ium; hexahydrofluoride

Systemtic Name: bis(oxidanidyl)-oxidanylidene-antimony; 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-3-ium; hexahydrofluoride Openeye Name: dioxido(oxo)antimony; 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-3-ium; hexahydrofluoride CAS Name: dioxido(oxo)antimony; 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-3-ium; hexahydrofluoride IUPAC Name: dioxido(oxo)antimony; 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-3-ium; hexahydrofluoride Traditional Name: keto(dioxido)antimony; 3-p-anisyl-1,3-benzothiazol-3-ium; hexahydrofluoride Formula: C180H174F6N12O30S12Sb6 MolecularWeight: 4214.700379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=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

COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.COC1=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/12C15H14NOS.6FH.18O.6Sb/c12*1-17-13-8-6-12(7-9-13)10-16-11-18-15-5-3-2-4-14(15)16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*2-9,11H,10H2,1H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;