(E)-but-2-enedioate; dibutyltin(2+); dodecanoate

Systemtic Name: (E)-but-2-enedioate; dibutyltin(2+); dodecanoate Openeye Name: (E)-but-2-enedioate; dibutyltin(2+); dodecanoate CAS Name: (E)-2-butenedioate; dibutyltin(2+); dodecanoate IUPAC Name: (E)-but-2-enedioate; dibutyltin(2+); dodecanoate Traditional Name: dibutyltin(2+); laurate; difumarate Formula: C56H104O12Sn3 MolecularWeight: 1325.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H24O2.2C4H4O4.6C4H9.3Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*5-3(6)1-2-4(7)8;6*1-3-4-2;;;/h2*2-11H2,1H3,(H,13,14);2*1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;;/q;;;;;;;;;;3*+2/p-6/b;;2*2-1+;;;;;;;;;