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

Systemtic Name: fluoranyl-bis(oxidanidyl)borane; 3-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-benzyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane CAS Name: fluoro(dioxido)borane; 3-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-benzyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Traditional Name: 3-benzyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Formula: C112H96B4F4N8O8S8 MolecularWeight: 2057.767053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32

InChI

InChI=1S/8C14H12NS.4BFO2/c8*1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;4*2-1(3)4/h8*1-9,11H,10H2;;;;/q8*+1;4*-2