dioctyltin(2+); (Z)-2-(2-ethylhexyl)but-2-enedioate

Systemtic Name: dioctyltin(2+); (Z)-2-(2-ethylhexyl)but-2-enedioate Openeye Name: dioctyltin(2+); (Z)-2-(2-ethylhexyl)but-2-enedioate CAS Name: dioctyltin(2+); (Z)-2-(2-ethylhexyl)-2-butenedioate IUPAC Name: dioctyltin(2+); (Z)-2-(2-ethylhexyl)but-2-enedioate Traditional Name: dioctyltin(2+); (Z)-2-(2-ethylhexyl)but-2-enedioate Formula: C56H104O8Sn2 MolecularWeight: 1142.84016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(CC)CC(=CC(=O)[O-])C(=O)[O-].CCCCC(CC)CC(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(C/C(=C/C(=O)[O-])/C(=O)[O-])CC.CCCCC(C/C(=C/C(=O)[O-])/C(=O)[O-])CC

InChI

InChI=1S/2C12H20O4.4C8H17.2Sn/c2*1-3-5-6-9(4-2)7-10(12(15)16)8-11(13)14;4*1-3-5-7-8-6-4-2;;/h2*8-9H,3-7H2,1-2H3,(H,13,14)(H,15,16);4*1,3-8H2,2H3;;/q;;;;;;2*+2/p-4/b2*10-8-;;;;;;