5-bromanylthiophene-3-carboxylic acid; 2-(2-carboxyethylamino)-5-nitro-3H-thiophene-2-carboxylic acid; 4-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-3-carboxylic acid

Systemtic Name: 5-bromanylthiophene-3-carboxylic acid; 2-(2-carboxyethylamino)-5-nitro-3H-thiophene-2-carboxylic acid; 4-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-3-carboxylic acid Openeye Name: 5-bromothiophene-3-carboxylic acid; 2-(2-carboxyethylamino)-5-nitro-3H-thiophene-2-carboxylic acid; 4-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-3-carboxylic acid CAS Name: 5-bromo-3-thiophenecarboxylic acid; 2-(2-carboxyethylamino)-5-nitro-3H-thiophene-2-carboxylic acid; 4-nitro-2-thiophenecarboxylic acid; 5-nitro-2-thiophenecarboxylic acid; 5-nitro-3-thiophenecarboxylic acid IUPAC Name: 5-bromothiophene-3-carboxylic acid; 2-(2-carboxyethylamino)-5-nitro-3H-thiophene-2-carboxylic acid; 4-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-2-carboxylic acid; 5-nitrothiophene-3-carboxylic acid Traditional Name: 5-bromo-3-thenoic acid; 2-(2-carboxyethylamino)-5-nitro-3H-thiophene-2-carboxylic acid; 4-nitro-2-thenoic acid; 5-nitro-2-thenoic acid; 5-nitro-3-thenoic acid Formula: C28H22BrN5O20S5 MolecularWeight: 988.72478

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(SC1(C(=O)O)NCCC(=O)O)[N+](=O)[O-].C1=C(SC(=C1)[N+](=O)[O-])C(=O)O.C1=C(SC=C1[N+](=O)[O-])C(=O)O.C1=C(SC=C1C(=O)O)[N+](=O)[O-].C1=C(SC=C1C(=O)O)Br

Isomeric SMILES

C1C=C(SC1(C(=O)O)NCCC(=O)O)[N+](=O)[O-].C1=C(SC(=C1)[N+](=O)[O-])C(=O)O.C1=C(SC=C1[N+](=O)[O-])C(=O)O.C1=C(SC=C1C(=O)O)[N+](=O)[O-].C1=C(SC=C1C(=O)O)Br

InChI

InChI=1S/C8H10N2O6S.C5H3BrO2S.3C5H3NO4S/c11-6(12)2-4-9-8(7(13)14)3-1-5(17-8)10(15)16;6-4-1-3(2-9-4)5(7)8;7-5(8)4-1-3(2-11-4)6(9)10;7-5(8)3-1-4(6(9)10)11-2-3;7-5(8)3-1-2-4(11-3)6(9)10/h1,9H,2-4H2,(H,11,12)(H,13,14);1-2H,(H,7,8);3*1-2H,(H,7,8)