1,3-benzothiazol-3-ium; tetraphenylboranuide; bromide

Systemtic Name: 1,3-benzothiazol-3-ium; tetraphenylboranuide; bromide Openeye Name: 1,3-benzothiazol-3-ium; tetraphenylboranuide; bromide CAS Name: 1,3-benzothiazol-3-ium; tetraphenylboranuide; bromide IUPAC Name: 1,3-benzothiazol-3-ium; tetraphenylboranuide; bromide Traditional Name: 1,3-benzothiazol-3-ium; tetraphenylboranuide; bromide Formula: C31H26BBrNS- MolecularWeight: 535.32484

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C2C(=C1)[NH+]=CS2.[Br-]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C2C(=C1)[NH+]=CS2.[Br-]

InChI

InChI=1S/C24H20B.C7H5NS.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-7-6(3-1)8-5-9-7;/h1-20H;1-5H;1H/q-1;;