3-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)prop-2-yn-1-one

Systemtic Name: 3-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)prop-2-yn-1-one Openeye Name: 3-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)prop-2-yn-1-one CAS Name: 3-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-2-propyn-1-one IUPAC Name: 3-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)prop-2-yn-1-one Traditional Name: 3-(4-mesylphenyl)-1-(4-nitrophenyl)prop-2-yn-1-one Formula: C16H11NO5S MolecularWeight: 329.32724

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO5S/c1-23(21,22)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-3,5-10H,1H3