dibutyltin; 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid

Systemtic Name: dibutyltin; 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid Openeye Name: dibutyltin; 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid CAS Name: dibutyltin; 1,3-dimethyl-5-phenoxy-4-pyrazolecarboxylic acid IUPAC Name: dibutyltin; 1,3-dimethyl-5-phenoxypyrazole-4-carboxylic acid Traditional Name: dibutyltin; 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid Formula: C32H42N4O6Sn MolecularWeight: 697.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H12N2O3.2C4H9.Sn/c2*1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9;2*1-3-4-2;/h2*3-7H,1-2H3,(H,15,16);2*1,3-4H2,2H3;