dibutyltin; 2-(4-nitrophenyl)benzoic acid; [2-(4-nitrophenyl)phenyl]methanediol; dihydrate

Systemtic Name: dibutyltin; 2-(4-nitrophenyl)benzoic acid; [2-(4-nitrophenyl)phenyl]methanediol; dihydrate Openeye Name: dibutyltin; 2-(4-nitrophenyl)benzoic acid; [2-(4-nitrophenyl)phenyl]methanediol; dihydrate CAS Name: dibutyltin; 2-(4-nitrophenyl)benzoic acid; [2-(4-nitrophenyl)phenyl]methanediol; dihydrate IUPAC Name: dibutyltin; 2-(4-nitrophenyl)benzoic acid; [2-(4-nitrophenyl)phenyl]methanediol; dihydrate Traditional Name: dibutyltin; 2-(4-nitrophenyl)benzoic acid; [2-(4-nitrophenyl)phenyl]methanediol; dihydrate Formula: C84H116N4O18Sn4 MolecularWeight: 1944.67584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(O)O.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(O)O.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.O.O

Isomeric SMILES

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(O)O.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(O)O.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.O.O

InChI

InChI=1S/2C13H11NO4.2C13H9NO4.8C4H9.2H2O.4Sn/c4*15-13(16)12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(17)18;8*1-3-4-2;;;;;;/h2*1-8,13,15-16H;2*1-8H,(H,15,16);8*1,3-4H2,2H3;2*1H2;;;;