[4-[4-methyl-2-(5-nitro-1,3-benzothiazol-2-yl)phenyl]phenyl]-diphenyl-phosphanium bromide

Systemtic Name: [4-[4-methyl-2-(5-nitro-1,3-benzothiazol-2-yl)phenyl]phenyl]-diphenyl-phosphanium bromide Openeye Name: [4-[4-methyl-2-(5-nitro-1,3-benzothiazol-2-yl)phenyl]phenyl]-diphenyl-phosphonium bromide CAS Name: [4-[4-methyl-2-(5-nitro-1,3-benzothiazol-2-yl)phenyl]phenyl]-diphenylphosphonium bromide IUPAC Name: [4-[4-methyl-2-(5-nitro-1,3-benzothiazol-2-yl)phenyl]phenyl]-diphenylphosphanium bromide Traditional Name: [4-[4-methyl-2-(5-nitro-1,3-benzothiazol-2-yl)phenyl]phenyl]-diphenyl-phosphonium bromide Formula: C32H24BrN2O2PS MolecularWeight: 611.487921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(C=C2)[PH+](C3=CC=CC=C3)C4=CC=CC=C4)C5=NC6=C(S5)C=CC(=C6)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(C=C2)[PH+](C3=CC=CC=C3)C4=CC=CC=C4)C5=NC6=C(S5)C=CC(=C6)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C32H23N2O2PS.BrH/c1-22-12-18-28(29(20-22)32-33-30-21-24(34(35)36)15-19-31(30)38-32)23-13-16-27(17-14-23)37(25-8-4-2-5-9-25)26-10-6-3-7-11-26;/h2-21H,1H3;1H