5-octadecoxythiophene-2-carboxylic acid

Systemtic Name: 5-octadecoxythiophene-2-carboxylic acid Openeye Name: 5-octadecoxythiophene-2-carboxylic acid CAS Name: 5-octadecoxy-2-thiophenecarboxylic acid IUPAC Name: 5-octadecoxythiophene-2-carboxylic acid Traditional Name: 5-stearyloxy-2-thenoic acid Formula: C23H40O3S MolecularWeight: 396.6269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C23H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22-19-18-21(27-22)23(24)25/h18-19H,2-17,20H2,1H3,(H,24,25)