butyltin(3+); (Z)-2-dodecylbut-2-enedioate

Systemtic Name: butyltin(3+); (Z)-2-dodecylbut-2-enedioate Openeye Name: butyltin(3+); (Z)-2-dodecylbut-2-enedioate CAS Name: butyltin(3+); (Z)-2-dodecyl-2-butenedioate IUPAC Name: butyltin(3+); (Z)-2-dodecylbut-2-enedioate Traditional Name: butyltin(3+); (Z)-2-laurylbut-2-enedioate Formula: C56H96O12Sn2 MolecularWeight: 1198.77424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=CC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCC(=CC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCC(=CC(=O)[O-])C(=O)[O-].CCCC[Sn+3].CCCC[Sn+3]

Isomeric SMILES

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

InChI

InChI=1S/3C16H28O4.2C4H9.2Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;2*1-3-4-2;;/h3*13H,2-12H2,1H3,(H,17,18)(H,19,20);2*1,3-4H2,2H3;;/q;;;;;2*+3/p-6/b3*14-13-;;;;