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

Systemtic Name: dibutyltin; (E)-4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoic acid; hydrate Openeye Name: dibutyltin; (E)-4-(6-methylheptoxy)-4-oxo-but-2-enoic acid; hydrate CAS Name: dibutyltin; (E)-4-(6-methylheptoxy)-4-oxo-2-butenoic acid; hydrate IUPAC Name: dibutyltin; (E)-4-(6-methylheptoxy)-4-oxobut-2-enoic acid; hydrate Traditional Name: dibutyltin; (E)-4-keto-4-(6-methylheptoxy)but-2-enoic acid; hydrate Formula: C40H78O9Sn2 MolecularWeight: 940.46192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H20O4.4C4H9.H2O.2Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;4*1-3-4-2;;;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);4*1,3-4H2,2H3;1H2;;/b2*8-7+;;;;;;;