4-(octylamino)thiophene-2-carboxylic acid

Systemtic Name: 4-(octylamino)thiophene-2-carboxylic acid Openeye Name: 4-(octylamino)thiophene-2-carboxylic acid CAS Name: 4-(octylamino)-2-thiophenecarboxylic acid IUPAC Name: 4-(octylamino)thiophene-2-carboxylic acid Traditional Name: 4-(octylamino)-2-thenoic acid Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CSC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCNC1=CSC(=C1)C(=O)O

InChI

InChI=1S/C13H21NO2S/c1-2-3-4-5-6-7-8-14-11-9-12(13(15)16)17-10-11/h9-10,14H,2-8H2,1H3,(H,15,16)