butyltin(3+); 2,3,4,5,6,7,8-heptakis(oxidanyl)octanoate

Systemtic Name: butyltin(3+); 2,3,4,5,6,7,8-heptakis(oxidanyl)octanoate Openeye Name: butyltin(3+); 2,3,4,5,6,7,8-heptahydroxyoctanoate CAS Name: butyltin(3+); 2,3,4,5,6,7,8-heptahydroxyoctanoate IUPAC Name: butyltin(3+); 2,3,4,5,6,7,8-heptahydroxyoctanoate Traditional Name: butyltin(3+); 2,3,4,5,6,7,8-heptahydroxycaprylate Formula: C28H54O27Sn MolecularWeight: 941.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H16O9.C4H9.Sn/c3*9-1-2(10)3(11)4(12)5(13)6(14)7(15)8(16)17;1-3-4-2;/h3*2-7,9-15H,1H2,(H,16,17);1,3-4H2,2H3;/q;;;;+3/p-3