butyltin; 4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: butyltin; 4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: butyltin; 4-(6-methylheptoxy)-4-oxo-but-2-enoic acid CAS Name: butyltin; 4-(6-methylheptoxy)-4-oxo-2-butenoic acid IUPAC Name: butyltin; 4-(6-methylheptoxy)-4-oxobut-2-enoic acid Traditional Name: butyltin; 4-keto-4-(6-methylheptoxy)but-2-enoic acid Formula: C40H69O12Sn MolecularWeight: 860.67866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn].CC(C)CCCCCOC(=O)C=CC(=O)O.CC(C)CCCCCOC(=O)C=CC(=O)O.CC(C)CCCCCOC(=O)C=CC(=O)O

Isomeric SMILES

CCCC[Sn].CC(C)CCCCCOC(=O)C=CC(=O)O.CC(C)CCCCCOC(=O)C=CC(=O)O.CC(C)CCCCCOC(=O)C=CC(=O)O

InChI

InChI=1S/3C12H20O4.C4H9.Sn/c3*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;1-3-4-2;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);1,3-4H2,2H3;