4-bromanyl-5-methyl-2-methylsulfonyl-thiophene-3-carboxylate

Systemtic Name: 4-bromanyl-5-methyl-2-methylsulfonyl-thiophene-3-carboxylate Openeye Name: 4-bromo-5-methyl-2-methylsulfonyl-thiophene-3-carboxylate CAS Name: 4-bromo-5-methyl-2-methylsulfonyl-3-thiophenecarboxylate IUPAC Name: 4-bromo-5-methyl-2-methylsulfonylthiophene-3-carboxylate Traditional Name: 4-bromo-2-mesyl-5-methyl-3-thenoate Formula: C7H6BrO4S2- MolecularWeight: 298.15414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)S(=O)(=O)C)C(=O)[O-])Br

Isomeric SMILES

CC1=C(C(=C(S1)S(=O)(=O)C)C(=O)[O-])Br

InChI

InChI=1S/C7H7BrO4S2/c1-3-5(8)4(6(9)10)7(13-3)14(2,11)12/h1-2H3,(H,9,10)/p-1