methyl 5-chloranyl-2,4-dinitro-thiophene-3-carboxylate; methyl 5-chloranyl-2-nitro-thiophene-3-carboxylate; methyl 5-chloranyl-4-nitro-thiophene-3-carboxylate

Systemtic Name: methyl 5-chloranyl-2,4-dinitro-thiophene-3-carboxylate; methyl 5-chloranyl-2-nitro-thiophene-3-carboxylate; methyl 5-chloranyl-4-nitro-thiophene-3-carboxylate Openeye Name: methyl 5-chloro-2,4-dinitro-thiophene-3-carboxylate; methyl 5-chloro-2-nitro-thiophene-3-carboxylate; methyl 5-chloro-4-nitro-thiophene-3-carboxylate CAS Name: 5-chloro-2,4-dinitro-3-thiophenecarboxylic acid methyl ester; 5-chloro-2-nitro-3-thiophenecarboxylic acid methyl ester; 5-chloro-4-nitro-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2,4-dinitrothiophene-3-carboxylate; methyl 5-chloro-2-nitrothiophene-3-carboxylate; methyl 5-chloro-4-nitrothiophene-3-carboxylate Traditional Name: 5-chloro-2,4-dinitro-thiophene-3-carboxylic acid methyl ester; 5-chloro-2-nitro-thiophene-3-carboxylic acid methyl ester; 5-chloro-4-nitro-thiophene-3-carboxylic acid methyl ester Formula: C18H11Cl3N4O14S3 MolecularWeight: 709.85234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)Cl)[N+](=O)[O-].COC(=O)C1=CSC(=C1[N+](=O)[O-])Cl.COC(=O)C1=C(SC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC(=C1)Cl)[N+](=O)[O-].COC(=O)C1=CSC(=C1[N+](=O)[O-])Cl.COC(=O)C1=C(SC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H3ClN2O6S.2C6H4ClNO4S/c1-15-6(10)2-3(8(11)12)4(7)16-5(2)9(13)14;1-12-6(9)3-2-13-5(7)4(3)8(10)11;1-12-6(9)3-2-4(7)13-5(3)8(10)11/h1H3;2*2H,1H3