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

Systemtic Name: dibutyltin(2+); (Z)-2-octadecylbut-2-enedioate Openeye Name: dibutyltin(2+); (Z)-2-octadecylbut-2-enedioate CAS Name: dibutyltin(2+); (Z)-2-octadecyl-2-butenedioate IUPAC Name: dibutyltin(2+); (Z)-2-octadecylbut-2-enedioate Traditional Name: dibutyltin(2+); (Z)-2-stearylbut-2-enedioate Formula: C60H112O8Sn2 MolecularWeight: 1198.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H40O4.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;4*1-3-4-2;;/h2*19H,2-18H2,1H3,(H,23,24)(H,25,26);4*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4/b2*20-19-;;;;;;