5,6-bis(chloranyl)-3-ethyl-1,3-benzothiazol-3-ium; fluoranyl-bis(oxidanidyl)borane

Systemtic Name: 5,6-bis(chloranyl)-3-ethyl-1,3-benzothiazol-3-ium; fluoranyl-bis(oxidanidyl)borane Openeye Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane CAS Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane IUPAC Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Traditional Name: 5,6-dichloro-3-ethyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Formula: C72H64B4Cl16F4N8O8S8 MolecularWeight: 2112.332973

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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=CSC2=CC(=C(C=C21)Cl)Cl.CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl.CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl.CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl.CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl.CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl.CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl.CC[N+]1=CSC2=CC(=C(C=C21)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/8C9H8Cl2NS.4BFO2/c8*1-2-12-5-13-9-4-7(11)6(10)3-8(9)12;4*2-1(3)4/h8*3-5H,2H2,1H3;;;;/q8*+1;4*-2