(E)-but-2-enedioate; dibutyltin(2+); 2,2-dimethyl-3-octoxy-butan-1-ol

Systemtic Name: (E)-but-2-enedioate; dibutyltin(2+); 2,2-dimethyl-3-octoxy-butan-1-ol Openeye Name: (E)-but-2-enedioate; dibutyltin(2+); 2,2-dimethyl-3-octoxy-butan-1-ol CAS Name: (E)-2-butenedioate; dibutyltin(2+); 2,2-dimethyl-3-octoxy-1-butanol IUPAC Name: (E)-but-2-enedioate; dibutyltin(2+); 2,2-dimethyl-3-octoxybutan-1-ol Traditional Name: dibutyltin(2+); 2,2-dimethyl-3-octoxy-butan-1-ol; fumarate Formula: C26H50O6Sn MolecularWeight: 577.3816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCOC(C)C(C)(C)CO.CCCC[Sn+2]CCCC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H30O2.C4H4O4.2C4H9.Sn/c1-5-6-7-8-9-10-11-16-13(2)14(3,4)12-15;5-3(6)1-2-4(7)8;2*1-3-4-2;/h13,15H,5-12H2,1-4H3;1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2/b;2-1+;;;