methylbenzene; tetraphenylphosphanium; tin(4+); bromide; chloride

Systemtic Name: methylbenzene; tetraphenylphosphanium; tin(4+); bromide; chloride Openeye Name: stannic; methylbenzene; tetraphenylphosphonium; bromide; chloride CAS Name: methylbenzene; tetraphenylphosphonium; tin(4+); bromide; chloride IUPAC Name: methylbenzene; tetraphenylphosphanium; tin(4+); bromide; chloride Traditional Name: stannic; methylbenzene; tetraphenylphosphonium; bromide; chloride Formula: C45H41BrClPSn MolecularWeight: 846.847801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Br-].[Sn+4]

Isomeric SMILES

CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Br-].[Sn+4]

InChI

InChI=1S/C24H20P.3C7H7.BrH.ClH.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*1-7-5-3-2-4-6-7;;;/h1-20H;3*2-3,5-6H,1H3;2*1H;/q+1;3*-1;;;+4/p-2