(E)-but-2-enedioate; butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylethanoate

Systemtic Name: (E)-but-2-enedioate; butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylethanoate Openeye Name: (E)-but-2-enedioate; butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylacetate CAS Name: (E)-2-butenedioate; butyltin(3+); 2-mercaptoacetic acid [(E)-octadec-9-enyl] ester IUPAC Name: (E)-but-2-enedioate; butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylacetate Traditional Name: butyltin(3+); 2-mercaptoacetic acid [(E)-octadec-9-enyl] ester; fumarate Formula: C28H49O6SSn+ MolecularWeight: 632.46006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CS.CCCC[Sn+3].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CS.CCCC[Sn+3].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C20H38O2S.C4H4O4.C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23;5-3(6)1-2-4(7)8;1-3-4-2;/h9-10,23H,2-8,11-19H2,1H3;1-2H,(H,5,6)(H,7,8);1,3-4H2,2H3;/q;;;+3/p-2/b10-9+;2-1+;;