benzene; tetraphenylphosphanium; tin(4+); bromide; thiocyanate

Systemtic Name: benzene; tetraphenylphosphanium; tin(4+); bromide; thiocyanate Openeye Name: stannic; benzene; tetraphenylphosphonium; bromide; thiocyanate CAS Name: benzene; tetraphenylphosphonium; tin(4+); bromide; thiocyanate IUPAC Name: benzene; tetraphenylphosphanium; tin(4+); bromide; thiocyanate Traditional Name: stannic; benzene; tetraphenylphosphonium; bromide; thiocyanate Formula: C43H35BrNPSSn MolecularWeight: 827.397461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)[S-].[Br-].[Sn+4]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)[S-].[Br-].[Sn+4]

InChI

InChI=1S/C24H20P.3C6H5.CHNS.BrH.Sn/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;3*1-2-4-6-5-3-1;2-1-3;;/h1-20H;3*1-5H;3H;1H;/q+1;3*-1;;;+4/p-2