3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; tributyltin

Systemtic Name: 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; tributyltin Openeye Name: 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; tributyltin CAS Name: 3-methyl-5-phenoxy-1-phenyl-4-pyrazolecarboxylic acid; tributyltin IUPAC Name: 3-methyl-5-phenoxy-1-phenylpyrazole-4-carboxylic acid; tributyltin Traditional Name: 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; tributyltin Formula: C29H41N2O3Sn MolecularWeight: 584.35744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3.3C4H9.Sn/c1-12-15(17(20)21)16(22-14-10-6-3-7-11-14)19(18-12)13-8-4-2-5-9-13;3*1-3-4-2;/h2-11H,1H3,(H,20,21);3*1,3-4H2,2H3;