dibutyltin; 2-oxidanyl-3,5-di(propan-2-yl)benzoic acid

Systemtic Name: dibutyltin; 2-oxidanyl-3,5-di(propan-2-yl)benzoic acid Openeye Name: dibutyltin; 2-hydroxy-3,5-diisopropyl-benzoic acid CAS Name: dibutyltin; 2-hydroxy-3,5-di(propan-2-yl)benzoic acid IUPAC Name: dibutyltin; 2-hydroxy-3,5-di(propan-2-yl)benzoic acid Traditional Name: dibutyltin; 2-hydroxy-3,5-diisopropyl-benzoic acid Formula: C126H216O18Sn6 MolecularWeight: 2731.31244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C

Isomeric SMILES

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C

InChI

InChI=1S/6C13H18O3.12C4H9.6Sn/c6*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;12*1-3-4-2;;;;;;/h6*5-8,14H,1-4H3,(H,15,16);12*1,3-4H2,2H3;;;;;;