2,2-bis(sulfanyl)ethanoate; dibutyltin(2+); ethane-1,2-diol

Systemtic Name: 2,2-bis(sulfanyl)ethanoate; dibutyltin(2+); ethane-1,2-diol Openeye Name: 2,2-bis(sulfanyl)acetate; dibutyltin(2+); ethylene glycol CAS Name: dibutyltin(2+); 2,2-dimercaptoacetate; ethane-1,2-diol IUPAC Name: 2,2-bis(sulfanyl)acetate; dibutyltin(2+); ethane-1,2-diol Traditional Name: dibutyltin(2+); 2,2-dimercaptoacetate; ethylene glycol Formula: C16H36O8S4Sn MolecularWeight: 603.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+2]CCCC.C(CO)O.C(CO)O.C(C(=O)[O-])(S)S.C(C(=O)[O-])(S)S

Isomeric SMILES

CCCC[Sn+2]CCCC.C(CO)O.C(CO)O.C(C(=O)[O-])(S)S.C(C(=O)[O-])(S)S

InChI

InChI=1S/2C4H9.2C2H4O2S2.2C2H6O2.Sn/c2*1-3-4-2;2*3-1(4)2(5)6;2*3-1-2-4;/h2*1,3-4H2,2H3;2*2,5-6H,(H,3,4);2*3-4H,1-2H2;/q;;;;;;+2/p-2