dibutyltin(2+); (E,2S,3R)-2-(hexacosanoylamino)octadec-4-ene-1,3-diolate

Systemtic Name: dibutyltin(2+); (E,2S,3R)-2-(hexacosanoylamino)octadec-4-ene-1,3-diolate Openeye Name: dibutyltin(2+); (E,2S,3R)-2-(hexacosanoylamino)octadec-4-ene-1,3-diolate CAS Name: dibutyltin(2+); (E,2S,3R)-2-(1-oxohexacosylamino)-4-octadecene-1,3-diolate IUPAC Name: dibutyltin(2+); (E,2S,3R)-2-(hexacosanoylamino)octadec-4-ene-1,3-diolate Traditional Name: dibutyltin(2+); (E,2S,3R)-2-(hexacosanoylamino)octadec-4-ene-1,3-diolate Formula: C52H103NO3Sn MolecularWeight: 909.08912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C[O-])C(C=CCCCCCCCCCCCCC)[O-].CCCC[Sn+2]CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C[O-])[C@@H](/C=C/CCCCCCCCCCCCC)[O-].CCCC[Sn+2]CCCC

InChI

InChI=1S/C44H85NO3.2C4H9.Sn/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2;2*1-3-4-2;/h37,39,42-43H,3-36,38,40-41H2,1-2H3,(H,45,48);2*1,3-4H2,2H3;/q-2;;;+2/b39-37+;;;/t42-,43+;;;/m0.../s1