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dibutyltin; 2,3,4,5-tetrakis(fluoranyl)benzoic acid; dihydrate

dibutyltin; 2,3,4,5-tetrakis(fluoranyl)benzoic acid; dihydrate

Systemtic Name:dibutyltin; 2,3,4,5-tetrakis(fluoranyl)benzoic acid; dihydrate
Openeye Name:dibutyltin; 2,3,4,5-tetrafluorobenzoic acid; dihydrate
CAS Name:dibutyltin; 2,3,4,5-tetrafluorobenzoic acid; dihydrate
IUPAC Name:dibutyltin; 2,3,4,5-tetrafluorobenzoic acid; dihydrate
Traditional Name:dibutyltin; 2,3,4,5-tetrafluorobenzoic acid; dihydrate
Formula: C60H84F16O10Sn4
MolecularWeight: 1744.117411
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.O.O


Isomeric SMILES

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.O.O


InChI

InChI=1S/4C7H2F4O2.8C4H9.2H2O.4Sn/c4*8-3-1-2(7(12)13)4(9)6(11)5(3)10;8*1-3-4-2;;;;;;/h4*1H,(H,12,13);8*1,3-4H2,2H3;2*1H2;;;;


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