2-methyl-5-nitro-thiophene-3-carboxylic acid

Systemtic Name: 2-methyl-5-nitro-thiophene-3-carboxylic acid Openeye Name: 2-methyl-5-nitro-thiophene-3-carboxylic acid CAS Name: 2-methyl-5-nitro-3-thiophenecarboxylic acid IUPAC Name: 2-methyl-5-nitrothiophene-3-carboxylic acid Traditional Name: 2-methyl-5-nitro-3-thenoic acid Formula: C6H5NO4S MolecularWeight: 187.1732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(S1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C6H5NO4S/c1-3-4(6(8)9)2-5(12-3)7(10)11/h2H,1H3,(H,8,9)