diphenyltin; 4-ethanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: diphenyltin; 4-ethanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-acetyl-5-methyl-2-phenyl-1H-pyrazol-3-one; diphenyltin CAS Name: 4-acetyl-5-methyl-2-phenyl-1H-pyrazol-3-one; diphenyltin IUPAC Name: 4-acetyl-5-methyl-2-phenyl-1H-pyrazol-3-one; diphenyltin Traditional Name: 4-acetyl-5-methyl-2-phenyl-3-pyrazolin-3-one; diphenyltin Formula: C36H34N4O4Sn MolecularWeight: 705.38956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C.CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C.C1=CC=C(C=C1)[Sn]C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C.CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C.C1=CC=C(C=C1)[Sn]C2=CC=CC=C2

InChI

InChI=1S/2C12H12N2O2.2C6H5.Sn/c2*1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;2*1-2-4-6-5-3-1;/h2*3-7,13H,1-2H3;2*1-5H;