dimethyltin; 5-methyl-4-(phenylcarbonyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

Systemtic Name: dimethyltin; 5-methyl-4-(phenylcarbonyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Openeye Name: 4-benzoyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one; dimethyltin CAS Name: 4-benzoyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one; dimethyltin IUPAC Name: 4-benzoyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one; dimethyltin Traditional Name: 4-benzoyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolin-3-one; dimethyltin Formula: C38H32F6N4O4Sn MolecularWeight: 841.385499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3.CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3.C[Sn]C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3.CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3.C[Sn]C

InChI

InChI=1S/2C18H13F3N2O2.2CH3.Sn/c2*1-11-15(16(24)12-5-3-2-4-6-12)17(25)23(22-11)14-9-7-13(8-10-14)18(19,20)21;;;/h2*2-10,22H,1H3;2*1H3;