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

Systemtic Name: 3-butyl-5-nitro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-butyl-5-nitro-benzothiophene-2-carboxylic acid CAS Name: 3-butyl-5-nitro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-butyl-5-nitro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-butyl-5-nitro-benzothiophene-2-carboxylic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13NO4S/c1-2-3-4-9-10-7-8(14(17)18)5-6-11(10)19-12(9)13(15)16/h5-7H,2-4H2,1H3,(H,15,16)