1-bromanyl-3-methyl-3-(4-methylsulfonyl-2-nitro-phenoxy)butan-2-one

Systemtic Name: 1-bromanyl-3-methyl-3-(4-methylsulfonyl-2-nitro-phenoxy)butan-2-one Openeye Name: 1-bromo-3-methyl-3-(4-methylsulfonyl-2-nitro-phenoxy)butan-2-one CAS Name: 1-bromo-3-methyl-3-(4-methylsulfonyl-2-nitrophenoxy)-2-butanone IUPAC Name: 1-bromo-3-methyl-3-(4-methylsulfonyl-2-nitrophenoxy)butan-2-one Traditional Name: 1-bromo-3-(4-mesyl-2-nitro-phenoxy)-3-methyl-butan-2-one Formula: C12H14BrNO6S MolecularWeight: 380.21166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14BrNO6S/c1-12(2,11(15)7-13)20-10-5-4-8(21(3,18)19)6-9(10)14(16)17/h4-6H,7H2,1-3H3