4-[3-bromanyl-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-5-nitro-thiophene-2-carboxylic acid

Systemtic Name: 4-[3-bromanyl-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-5-nitro-thiophene-2-carboxylic acid Openeye Name: 4-(3-bromo-5-tert-butoxy-phenyl)sulfonyl-5-nitro-thiophene-2-carboxylic acid CAS Name: 4-[3-bromo-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-5-nitro-2-thiophenecarboxylic acid IUPAC Name: 4-[3-bromo-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-5-nitrothiophene-2-carboxylic acid Traditional Name: 4-(3-bromo-5-tert-butoxy-phenyl)sulfonyl-5-nitro-2-thenoic acid Formula: C15H14BrNO7S2 MolecularWeight: 464.30816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC(=CC(=C1)Br)S(=O)(=O)C2=C(SC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC(=CC(=C1)Br)S(=O)(=O)C2=C(SC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrNO7S2/c1-15(2,3)24-9-4-8(16)5-10(6-9)26(22,23)12-7-11(14(18)19)25-13(12)17(20)21/h4-7H,1-3H3,(H,18,19)