ethyl 3-chloranyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-chloranyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-chloro-5,6-dihydroxy-7-nitro-benzothiophene-2-carboxylate CAS Name: 3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5,6-dihydroxy-7-nitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C11H8ClNO6S MolecularWeight: 317.70232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C(=C2S1)[N+](=O)[O-])O)O)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C(=C2S1)[N+](=O)[O-])O)O)Cl

InChI

InChI=1S/C11H8ClNO6S/c1-2-19-11(16)10-6(12)4-3-5(14)8(15)7(13(17)18)9(4)20-10/h3,14-15H,2H2,1H3