2-azanyl-5-octyl-thiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-5-octyl-thiophene-3-carboxylic acid Openeye Name: 2-amino-5-octyl-thiophene-3-carboxylic acid CAS Name: 2-amino-5-octyl-3-thiophenecarboxylic acid IUPAC Name: 2-amino-5-octylthiophene-3-carboxylic acid Traditional Name: 2-amino-5-octyl-3-thenoic acid Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(S1)N)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(S1)N)C(=O)O

InChI

InChI=1S/C13H21NO2S/c1-2-3-4-5-6-7-8-10-9-11(13(15)16)12(14)17-10/h9H,2-8,14H2,1H3,(H,15,16)