1-bromanyl-2-(2-methyl-1-nitro-propan-2-yl)oxy-benzene; 3-[(2-methylpropan-2-yl)oxy]phenoxathiine 10,10-dioxide

Systemtic Name: 1-bromanyl-2-(2-methyl-1-nitro-propan-2-yl)oxy-benzene; 3-[(2-methylpropan-2-yl)oxy]phenoxathiine 10,10-dioxide Openeye Name: 1-bromo-2-(1,1-dimethyl-2-nitro-ethoxy)benzene; 3-tert-butoxyphenoxathiine 10,10-dioxide CAS Name: 1-bromo-2-(2-methyl-1-nitropropan-2-yl)oxybenzene; 3-[(2-methylpropan-2-yl)oxy]phenoxathiine 10,10-dioxide IUPAC Name: 1-bromo-2-(2-methyl-1-nitropropan-2-yl)oxybenzene; 3-[(2-methylpropan-2-yl)oxy]phenoxathiine 10,10-dioxide Traditional Name: 1-bromo-2-(1,1-dimethyl-2-nitro-ethoxy)benzene; 3-tert-butoxyphenoxathiine 10,10-dioxide Formula: C26H28BrNO7S MolecularWeight: 578.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3O2.CC(C)(C[N+](=O)[O-])OC1=CC=CC=C1Br

Isomeric SMILES

CC(C)(C)OC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3O2.CC(C)(C[N+](=O)[O-])OC1=CC=CC=C1Br

InChI

InChI=1S/C16H16O4S.C10H12BrNO3/c1-16(2,3)20-11-8-9-15-13(10-11)19-12-6-4-5-7-14(12)21(15,17)18;1-10(2,7-12(13)14)15-9-6-4-3-5-8(9)11/h4-10H,1-3H3;3-6H,7H2,1-2H3