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

Systemtic Name: 4-[3-bromanyl-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(3-bromo-5-tert-butoxy-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[3-bromo-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[3-bromo-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(3-bromo-5-tert-butoxy-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C16H17BrO5S3 MolecularWeight: 465.40218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC(=CC(=C1)Br)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC

Isomeric SMILES

CC(C)(C)OC1=CC(=CC(=C1)Br)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC

InChI

InChI=1S/C16H17BrO5S3/c1-16(2,3)22-10-5-9(17)6-11(7-10)25(20,21)13-8-12(14(18)19)24-15(13)23-4/h5-8H,1-4H3,(H,18,19)