3-(2-methyl-5-nitro-phenyl)sulfonyloxythiophene-2-carboxylic acid

Systemtic Name: 3-(2-methyl-5-nitro-phenyl)sulfonyloxythiophene-2-carboxylic acid Openeye Name: 3-(2-methyl-5-nitro-phenyl)sulfonyloxythiophene-2-carboxylic acid CAS Name: 3-(2-methyl-5-nitrophenyl)sulfonyloxy-2-thiophenecarboxylic acid IUPAC Name: 3-(2-methyl-5-nitrophenyl)sulfonyloxythiophene-2-carboxylic acid Traditional Name: 3-(2-methyl-5-nitro-phenyl)sulfonyloxy-2-thenoic acid Formula: C12H9NO7S2 MolecularWeight: 343.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H9NO7S2/c1-7-2-3-8(13(16)17)6-10(7)22(18,19)20-9-4-5-21-11(9)12(14)15/h2-6H,1H3,(H,14,15)