dibutyltin; 2-[(2,6-dimethylphenyl)amino]benzoic acid; [2-[(2,6-dimethylphenyl)amino]phenyl]methanediol; dihydrate

Systemtic Name: dibutyltin; 2-[(2,6-dimethylphenyl)amino]benzoic acid; [2-[(2,6-dimethylphenyl)amino]phenyl]methanediol; dihydrate Openeye Name: dibutyltin; 2-(2,6-dimethylanilino)benzoic acid; [2-(2,6-dimethylanilino)phenyl]methanediol; dihydrate CAS Name: dibutyltin; 2-(2,6-dimethylanilino)benzoic acid; [2-(2,6-dimethylanilino)phenyl]methanediol; dihydrate IUPAC Name: dibutyltin; 2-(2,6-dimethylanilino)benzoic acid; [2-(2,6-dimethylanilino)phenyl]methanediol; dihydrate Traditional Name: dibutyltin; 2-(2,6-dimethylanilino)benzoic acid; [2-(2,6-dimethylanilino)phenyl]methanediol; dihydrate Formula: C92H140N4O10Sn4 MolecularWeight: 1936.9568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(O)O.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(O)O.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(=O)O.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(=O)O.O.O

Isomeric SMILES

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(O)O.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(O)O.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(=O)O.CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C(=O)O.O.O

InChI

InChI=1S/2C15H17NO2.2C15H15NO2.8C4H9.2H2O.4Sn/c4*1-10-6-5-7-11(2)14(10)16-13-9-4-3-8-12(13)15(17)18;8*1-3-4-2;;;;;;/h2*3-9,15-18H,1-2H3;2*3-9,16H,1-2H3,(H,17,18);8*1,3-4H2,2H3;2*1H2;;;;