dibutyltin; methyl (3R,4R,5R)-5-acetyloxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: dibutyltin; methyl (3R,4R,5R)-5-acetyloxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: dibutyltin; methyl (3R,4R,5R)-5-acetoxy-3,4-dihydroxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5R)-5-acetyloxy-3,4-dihydroxy-1-cyclohexenecarboxylic acid methyl ester; dibutyltin IUPAC Name: dibutyltin; methyl (3R,4R,5R)-5-acetyloxy-3,4-dihydroxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5R)-5-acetoxy-3,4-dihydroxy-cyclohexene-1-carboxylic acid methyl ester; dibutyltin Formula: C18H32O6Sn MolecularWeight: 463.15308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CC(=O)OC1CC(=CC(C1O)O)C(=O)OC

Isomeric SMILES

CCCC[Sn]CCCC.CC(=O)O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)OC

InChI

InChI=1S/C10H14O6.2C4H9.Sn/c1-5(11)16-8-4-6(10(14)15-2)3-7(12)9(8)13;2*1-3-4-2;/h3,7-9,12-13H,4H2,1-2H3;2*1,3-4H2,2H3;/t7-,8-,9-;;;/m1.../s1