1,1'-biphenyl; (3-methylthiophen-2-yl)methyl-phenyl-phosphanium; bromide

Systemtic Name: 1,1'-biphenyl; (3-methylthiophen-2-yl)methyl-phenyl-phosphanium; bromide Openeye Name: biphenyl; (3-methyl-2-thienyl)methyl-phenyl-phosphonium; bromide CAS Name: 1,1'-biphenyl; (3-methyl-2-thiophenyl)methyl-phenylphosphonium; bromide IUPAC Name: 1,1'-biphenyl; (3-methylthiophen-2-yl)methyl-phenylphosphanium; bromide Traditional Name: biphenyl; (3-methyl-2-thienyl)methyl-phenyl-phosphonium; bromide Formula: C24H24BrPS MolecularWeight: 455.390121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[PH2+]C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=C(SC=C1)C[PH2+]C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C12H13PS.C12H10.BrH/c1-10-7-8-14-12(10)9-13-11-5-3-2-4-6-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2-8,13H,9H2,1H3;1-10H;1H