diphenylphosphorylbenzene; phenyltin(3+); trithiocyanate

Systemtic Name: diphenylphosphorylbenzene; phenyltin(3+); trithiocyanate Openeye Name: diphenylphosphorylbenzene; phenyltin(3+); trithiocyanate CAS Name: diphenylphosphorylbenzene; phenyltin(3+); trithiocyanate IUPAC Name: diphenylphosphorylbenzene; phenyltin(3+); trithiocyanate Traditional Name: diphenylphosphorylbenzene; phenyltin(3+); trithiocyanate Formula: C45H35N3O2P2S3Sn MolecularWeight: 926.630822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn+3].C(#N)[S-].C(#N)[S-].C(#N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn+3].C(#N)[S-].C(#N)[S-].C(#N)[S-]

InChI

InChI=1S/2C18H15OP.C6H5.3CHNS.Sn/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;3*2-1-3;/h2*1-15H;1-5H;3*3H;/q;;;;;;+3/p-3