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

Systemtic Name: 2-chloranyl-3-methyl-1,3-benzothiazol-3-ium; fluoranyl-bis(oxidanidyl)borane Openeye Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane CAS Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane IUPAC Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Traditional Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Formula: C64H56B4Cl8F4N8O8S8 MolecularWeight: 1724.559853

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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.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl

Isomeric SMILES

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl.C[N+]1=C(SC2=CC=CC=C21)Cl

InChI

InChI=1S/8C8H7ClNS.4BFO2/c8*1-10-6-4-2-3-5-7(6)11-8(10)9;4*2-1(3)4/h8*2-5H,1H3;;;;/q8*+1;4*-2