butyltin(3+); diphenylphosphorylbenzene; trithiocyanate

Systemtic Name: butyltin(3+); diphenylphosphorylbenzene; trithiocyanate Openeye Name: butyltin(3+); diphenylphosphorylbenzene; trithiocyanate CAS Name: butyltin(3+); diphenylphosphorylbenzene; trithiocyanate IUPAC Name: butyltin(3+); diphenylphosphorylbenzene; trithiocyanate Traditional Name: butyltin(3+); diphenylphosphorylbenzene; trithiocyanate Formula: C43H39N3O2P2S3Sn MolecularWeight: 906.641182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].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.C(#N)[S-].C(#N)[S-].C(#N)[S-]

Isomeric SMILES

CCCC[Sn+3].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.C(#N)[S-].C(#N)[S-].C(#N)[S-]

InChI

InChI=1S/2C18H15OP.C4H9.3CHNS.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;1-3-4-2;3*2-1-3;/h2*1-15H;1,3-4H2,2H3;3*3H;/q;;;;;;+3/p-3