phenyltin; tin; 2,2,2-tris(fluoranyl)ethanoic acid; dihydrate

Systemtic Name: phenyltin; tin; 2,2,2-tris(fluoranyl)ethanoic acid; dihydrate Openeye Name: phenyltin; tin; 2,2,2-trifluoroacetic acid; dihydrate CAS Name: phenyltin; tin; 2,2,2-trifluoroacetic acid; dihydrate IUPAC Name: phenyltin; tin; 2,2,2-trifluoroacetic acid; dihydrate Traditional Name: phenyltin; tin; 2,2,2-trifluoroacetic acid; dihydrate Formula: C32H24F30O22Sn4 MolecularWeight: 1805.311856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[Sn].C1=CC=C(C=C1)[Sn].C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.O.O.[Sn].[Sn]

Isomeric SMILES

C1=CC=C(C=C1)[Sn].C1=CC=C(C=C1)[Sn].C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.O.O.[Sn].[Sn]

InChI

InChI=1S/2C6H5.10C2HF3O2.2H2O.4Sn/c2*1-2-4-6-5-3-1;10*3-2(4,5)1(6)7;;;;;;/h2*1-5H;10*(H,6,7);2*1H2;;;;