5-nitro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-nitro-1-benzothiophene-2-carboxylic acid Openeye Name: 5-nitrobenzothiophene-2-carboxylic acid CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-nitro-1-benzothiophene-2-carboxylic acid Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid Formula: C9H5NO4S MolecularWeight: 223.2053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)O

InChI

InChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)