butyltin(3+); dodecane-1-thiolate; 2-oxidanylethanethiolate

Systemtic Name: butyltin(3+); dodecane-1-thiolate; 2-oxidanylethanethiolate Openeye Name: butyltin(3+); dodecane-1-thiolate; 2-hydroxyethanethiolate CAS Name: butyltin(3+); 1-dodecanethiolate; 2-hydroxyethanethiolate IUPAC Name: butyltin(3+); dodecane-1-thiolate; 2-hydroxyethanethiolate Traditional Name: butyltin(3+); dodecane-1-thiolate; 2-hydroxyethanethiolate Formula: C50H108O3S6Sn2 MolecularWeight: 1187.20072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H26S.2C4H9.3C2H6OS.2Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-4-2;3*3-1-2-4;;/h3*13H,2-12H2,1H3;2*1,3-4H2,2H3;3*3-4H,1-2H2;;/q;;;;;;;;2*+3/p-6