dioctyltin; (Z)-4-(2-methylpropoxy)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: dioctyltin; (Z)-4-(2-methylpropoxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: dioctyltin; (Z)-4-isobutoxy-4-oxo-but-2-enoic acid CAS Name: dioctyltin; (Z)-4-(2-methylpropoxy)-4-oxo-2-butenoic acid IUPAC Name: dioctyltin; (Z)-4-(2-methylpropoxy)-4-oxobut-2-enoic acid Traditional Name: dioctyltin; (Z)-4-isobutoxy-4-keto-but-2-enoic acid Formula: C32H58O8Sn MolecularWeight: 689.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn]CCCCCCCC.CC(C)COC(=O)C=CC(=O)O.CC(C)COC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCC[Sn]CCCCCCCC.CC(COC(=O)/C=C\C(=O)O)C.CC(COC(=O)/C=C\C(=O)O)C

InChI

InChI=1S/2C8H12O4.2C8H17.Sn/c2*1-6(2)5-12-8(11)4-3-7(9)10;2*1-3-5-7-8-6-4-2;/h2*3-4,6H,5H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/b2*4-3-;;;