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

Systemtic Name: 1,3-benzothiazol-3-ium; fluoranyl-bis(oxidanidyl)borane Openeye Name: 1,3-benzothiazol-3-ium; fluoro(dioxido)borane CAS Name: 1,3-benzothiazol-3-ium; fluoro(dioxido)borane IUPAC Name: 1,3-benzothiazol-3-ium; fluoro(dioxido)borane Traditional Name: 1,3-benzothiazol-3-ium; fluoro(dioxido)borane Formula: C56H48B4F4N8O8S8 MolecularWeight: 1336.786733

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=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2

Isomeric SMILES

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2

InChI

InChI=1S/8C7H5NS.4BFO2/c8*1-2-4-7-6(3-1)8-5-9-7;4*2-1(3)4/h8*1-5H;;;;/q;;;;;;;;4*-2/p+8