1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin

Systemtic Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin Openeye Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin CAS Name: 1,3-dimethyl-5-phenoxy-4-pyrazolecarboxylic acid; tris(2-methyl-2-phenylpropyl)tin IUPAC Name: 1,3-dimethyl-5-phenoxypyrazole-4-carboxylic acid; tris(2-methyl-2-phenylpropyl)tin Traditional Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; trineophyltin Formula: C42H51N2O3Sn MolecularWeight: 750.57594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2)C.CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2)C.CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

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;