dibutyltin; dodecanoic acid; (E)-4-(2-hydroxyethyloxy)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: dibutyltin; dodecanoic acid; (E)-4-(2-hydroxyethyloxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: dibutyltin; dodecanoic acid; (E)-4-(2-hydroxyethoxy)-4-oxo-but-2-enoic acid CAS Name: dibutyltin; dodecanoic acid; (E)-4-(2-hydroxyethoxy)-4-oxo-2-butenoic acid IUPAC Name: dibutyltin; dodecanoic acid; (E)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid Traditional Name: dibutyltin; (E)-4-(2-hydroxyethoxy)-4-keto-but-2-enoic acid; lauric acid Formula: C26H50O7Sn MolecularWeight: 593.381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)O.CCCC[Sn]CCCC.C(COC(=O)C=CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)O.CCCC[Sn]CCCC.C(COC(=O)/C=C/C(=O)O)O

InChI

InChI=1S/C12H24O2.C6H8O5.2C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-3-4-11-6(10)2-1-5(8)9;2*1-3-4-2;/h2-11H2,1H3,(H,13,14);1-2,7H,3-4H2,(H,8,9);2*1,3-4H2,2H3;/b;2-1+;;;