diphenyltin; 5-methyl-2-phenyl-4-(phenylcarbonyl)-1H-pyrazol-3-one

Systemtic Name: diphenyltin; 5-methyl-2-phenyl-4-(phenylcarbonyl)-1H-pyrazol-3-one Openeye Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; diphenyltin CAS Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; diphenyltin IUPAC Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; diphenyltin Traditional Name: 4-benzoyl-5-methyl-2-phenyl-3-pyrazolin-3-one; diphenyltin Formula: C46H38N4O4Sn MolecularWeight: 829.52832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn]C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn]C2=CC=CC=C2

InChI

InChI=1S/2C17H14N2O2.2C6H5.Sn/c2*1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14;2*1-2-4-6-5-3-1;/h2*2-11,18H,1H3;2*1-5H;