3,5-ditert-butyl-2-oxidanyl-benzoate; tin(4+)

Systemtic Name: 3,5-ditert-butyl-2-oxidanyl-benzoate; tin(4+) Openeye Name: stannic 3,5-ditert-butyl-2-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-2-hydroxybenzoate; tin(4+) IUPAC Name: 3,5-ditert-butyl-2-hydroxybenzoate; tin(4+) Traditional Name: stannic 3,5-ditert-butyl-2-hydroxy-benzoate Formula: C60H84O12Sn MolecularWeight: 1116.01176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.[Sn+4]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.[Sn+4]

InChI

InChI=1S/4C15H22O3.Sn/c4*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h4*7-8,16H,1-6H3,(H,17,18);/q;;;;+4/p-4