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

Systemtic Name: dioctyltin; (E)-4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: dioctyltin; (E)-4-(6-methylheptoxy)-4-oxo-but-2-enoic acid CAS Name: dioctyltin; (E)-4-(6-methylheptoxy)-4-oxo-2-butenoic acid IUPAC Name: dioctyltin; (E)-4-(6-methylheptoxy)-4-oxobut-2-enoic acid Traditional Name: dioctyltin; (E)-4-keto-4-(6-methylheptoxy)but-2-enoic acid Formula: C40H74O8Sn MolecularWeight: 801.72076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/b2*8-7+;;;