5-nitro-4-octyl-thiophene-2-carboxylic acid

Systemtic Name: 5-nitro-4-octyl-thiophene-2-carboxylic acid Openeye Name: 5-nitro-4-octyl-thiophene-2-carboxylic acid CAS Name: 5-nitro-4-octyl-2-thiophenecarboxylic acid IUPAC Name: 5-nitro-4-octylthiophene-2-carboxylic acid Traditional Name: 5-nitro-4-octyl-2-thenoic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC(=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(SC(=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO4S/c1-2-3-4-5-6-7-8-10-9-11(13(15)16)19-12(10)14(17)18/h9H,2-8H2,1H3,(H,15,16)