butyltin(3+); 1,2-diphenylethane-1,2-dione; 2-oxidanylbutanedioate

Systemtic Name: butyltin(3+); 1,2-diphenylethane-1,2-dione; 2-oxidanylbutanedioate Openeye Name: butyltin(3+); 1,2-diphenylethane-1,2-dione; 2-hydroxybutanedioate CAS Name: butyltin(3+); 1,2-diphenylethane-1,2-dione; 2-hydroxybutanedioate IUPAC Name: butyltin(3+); 1,2-diphenylethane-1,2-dione; 2-hydroxybutanedioate Traditional Name: benzil; butyltin(3+); 2-hydroxysuccinate Formula: C58H51O21Sn-3 MolecularWeight: 1202.72294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

CCCC[Sn+3].C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/3C14H10O2.3C4H6O5.C4H9.Sn/c3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;3*5-2(4(8)9)1-3(6)7;1-3-4-2;/h3*1-10H;3*2,5H,1H2,(H,6,7)(H,8,9);1,3-4H2,2H3;/q;;;;;;;+3/p-6