3-(3-bromanyl-2-methyl-6-methylsulfonyl-phenyl)-5-(bromomethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3-bromanyl-2-methyl-6-methylsulfonyl-phenyl)-5-(bromomethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-(bromomethyl)-3-(3-bromo-2-methyl-6-methylsulfonyl-phenyl)-4,5-dihydroisoxazole CAS Name: 5-(bromomethyl)-3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-4,5-dihydroisoxazole IUPAC Name: 5-(bromomethyl)-3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-bromo-6-mesyl-2-methyl-phenyl)-5-(bromomethyl)-2-isoxazoline Formula: C12H13Br2NO3S MolecularWeight: 411.10952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC(C2)CBr)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC(C2)CBr)S(=O)(=O)C)Br

InChI

InChI=1S/C12H13Br2NO3S/c1-7-9(14)3-4-11(19(2,16)17)12(7)10-5-8(6-13)18-15-10/h3-4,8H,5-6H2,1-2H3