tris(2-methyl-2-phenyl-propyl)stannyl 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylate

Systemtic Name: tris(2-methyl-2-phenyl-propyl)stannyl 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylate Openeye Name: tris(2-methyl-2-phenyl-propyl)stannyl 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylate CAS Name: 1,3-dimethyl-5-phenoxy-4-pyrazolecarboxylic acid tris(2-methyl-2-phenylpropyl)stannyl ester IUPAC Name: tris(2-methyl-2-phenylpropyl)stannyl 1,3-dimethyl-5-phenoxypyrazole-4-carboxylate Traditional Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid trineophylstannyl ester Formula: C42H50N2O3Sn MolecularWeight: 749.568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O[Sn](CC(C)(C)C2=CC=CC=C2)(CC(C)(C)C3=CC=CC=C3)CC(C)(C)C4=CC=CC=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[Sn](CC(C)(C)C2=CC=CC=C2)(CC(C)(C)C3=CC=CC=C3)CC(C)(C)C4=CC=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C12H12N2O3.3C10H13.Sn/c1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9;3*1-10(2,3)9-7-5-4-6-8-9;/h3-7H,1-2H3,(H,15,16);3*4-8H,1H2,2-3H3;/q;;;;+1/p-1