dibutyltin(2+); (Z)-2-hexadecylbut-2-enedioate

Systemtic Name: dibutyltin(2+); (Z)-2-hexadecylbut-2-enedioate Openeye Name: dibutyltin(2+); (Z)-2-hexadecylbut-2-enedioate CAS Name: dibutyltin(2+); (Z)-2-hexadecyl-2-butenedioate IUPAC Name: dibutyltin(2+); (Z)-2-hexadecylbut-2-enedioate Traditional Name: (Z)-2-cetylbut-2-enedioate; dibutyltin(2+) Formula: C56H104O8Sn2 MolecularWeight: 1142.84016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H36O4.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;4*1-3-4-2;;/h2*17H,2-16H2,1H3,(H,21,22)(H,23,24);4*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4/b2*18-17-;;;;;;