butyltin(3+); dibutyltin(2+); 2-(2-oxidanidyl-2-sulfanylidene-ethyl)oxetane-2-carbothioate

Systemtic Name: butyltin(3+); dibutyltin(2+); 2-(2-oxidanidyl-2-sulfanylidene-ethyl)oxetane-2-carbothioate Openeye Name: butyltin(3+); dibutyltin(2+); 2-(2-oxido-2-thioxo-ethyl)oxetane-2-carbothioate CAS Name: butyltin(3+); dibutyltin(2+); 2-(2-oxido-2-sulfanylideneethyl)-2-oxetanecarbothioate IUPAC Name: butyltin(3+); dibutyltin(2+); 2-(2-oxido-2-sulfanylideneethyl)oxetane-2-carbothioate Traditional Name: butyltin(3+); dibutyltin(2+); 2-(2-oxido-2-thioxo-ethyl)oxetane-2-carbothioate Formula: C54H84O15S10Sn4 MolecularWeight: 1768.72576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].CCCC[Sn+3].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-]

Isomeric SMILES

CCCC[Sn+3].CCCC[Sn+3].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-].C1COC1(CC(=S)[O-])C(=S)[O-]

InChI

InChI=1S/5C6H8O3S2.6C4H9.4Sn/c5*7-4(10)3-6(5(8)11)1-2-9-6;6*1-3-4-2;;;;/h5*1-3H2,(H,7,10)(H,8,11);6*1,3-4H2,2H3;;;;/q;;;;;;;;;;;2*+2;2*+3/p-10