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

Systemtic Name: 3-ethyl-2-fluoranyl-1,3-benzothiazol-3-ium; fluoranyl-bis(oxidanidyl)borane Openeye Name: 3-ethyl-2-fluoro-1,3-benzothiazol-3-ium; fluoro(dioxido)borane CAS Name: 3-ethyl-2-fluoro-1,3-benzothiazol-3-ium; fluoro(dioxido)borane IUPAC Name: 3-ethyl-2-fluoro-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Traditional Name: 3-ethyl-2-fluoro-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Formula: C72H72B4F12N8O8S8 MolecularWeight: 1705.135718

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

Isomeric SMILES

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

InChI

InChI=1S/8C9H9FNS.4BFO2/c8*1-2-11-7-5-3-4-6-8(7)12-9(11)10;4*2-1(3)4/h8*3-6H,2H2,1H3;;;;/q8*+1;4*-2