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

Systemtic Name: chloranyl(phenyl)tin; 5-methyl-2-phenyl-4-(phenylcarbonyl)-1H-pyrazol-3-one Openeye Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; chloro(phenyl)tin CAS Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; chloro(phenyl)tin IUPAC Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; chloro(phenyl)tin Traditional Name: 4-benzoyl-5-methyl-2-phenyl-3-pyrazolin-3-one; chloro(phenyl)tin Formula: C40H33ClN4O4Sn MolecularWeight: 787.87742

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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]Cl

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]Cl

InChI

InChI=1S/2C17H14N2O2.C6H5.ClH.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;1-2-4-6-5-3-1;;/h2*2-11,18H,1H3;1-5H;1H;/q;;;;+1/p-1