fluoranyl-bis(oxidanidyl)borane; 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium

Systemtic Name: fluoranyl-bis(oxidanidyl)borane; 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium Openeye Name: fluoro(dioxido)borane; 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium CAS Name: fluoro(dioxido)borane; 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium IUPAC Name: fluoro(dioxido)borane; 3-(2-methylsulfonylethyl)-1,3-benzothiazol-3-ium Traditional Name: fluoro(dioxido)borane; 3-(2-mesylethyl)-1,3-benzothiazol-3-ium Formula: C80H96B4F4N8O24S16 MolecularWeight: 2185.935053

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/8C10H12NO2S2.4BFO2/c8*1-15(12,13)7-6-11-8-14-10-5-3-2-4-9(10)11;4*2-1(3)4/h8*2-5,8H,6-7H2,1H3;;;;/q8*+1;4*-2