[(5S)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]-(4-iodophenyl)methanone

Systemtic Name: [(5S)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Openeye Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-(4-iodophenyl)methanone CAS Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-(4-iodophenyl)methanone IUPAC Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Traditional Name: [(5S)-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]-(4-iodophenyl)methanone Formula: C12H13IN2O2 MolecularWeight: 344.14829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=NN([C@@](C1)(C)O)C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H13IN2O2/c1-8-7-12(2,17)15(14-8)11(16)9-3-5-10(13)6-4-9/h3-6,17H,7H2,1-2H3/t12-/m0/s1