hexyltin(3+); 2-methyl-2-oxidanyl-butanedioate

Systemtic Name: hexyltin(3+); 2-methyl-2-oxidanyl-butanedioate Openeye Name: hexyltin(3+); 2-hydroxy-2-methyl-butanedioate CAS Name: hexyltin(3+); 2-hydroxy-2-methylbutanedioate IUPAC Name: hexyltin(3+); 2-hydroxy-2-methylbutanedioate Traditional Name: hexyltin(3+); 2-hydroxy-2-methyl-succinate Formula: C27H44O15Sn2 MolecularWeight: 846.04926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[Sn+3].CCCCCC[Sn+3].CC(CC(=O)[O-])(C(=O)[O-])O.CC(CC(=O)[O-])(C(=O)[O-])O.CC(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCC[Sn+3].CCCCCC[Sn+3].CC(CC(=O)[O-])(C(=O)[O-])O.CC(CC(=O)[O-])(C(=O)[O-])O.CC(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/2C6H13.3C5H8O5.2Sn/c2*1-3-5-6-4-2;3*1-5(10,4(8)9)2-3(6)7;;/h2*1,3-6H2,2H3;3*10H,2H2,1H3,(H,6,7)(H,8,9);;/q;;;;;2*+3/p-6