5-hexadecylthiophene-2-carboxylic acid

Systemtic Name: 5-hexadecylthiophene-2-carboxylic acid Openeye Name: 5-hexadecylthiophene-2-carboxylic acid CAS Name: 5-hexadecyl-2-thiophenecarboxylic acid IUPAC Name: 5-hexadecylthiophene-2-carboxylic acid Traditional Name: 5-cetyl-2-thenoic acid Formula: C21H36O2S MolecularWeight: 352.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C21H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(24-19)21(22)23/h17-18H,2-16H2,1H3,(H,22,23)