2-[5-(8-methoxy-8-oxidanylidene-octyl)thiophen-2-yl]carbonylbenzoic acid

Systemtic Name: 2-[5-(8-methoxy-8-oxidanylidene-octyl)thiophen-2-yl]carbonylbenzoic acid Openeye Name: 2-[5-(8-methoxy-8-oxo-octyl)thiophene-2-carbonyl]benzoic acid CAS Name: 2-[[5-(8-methoxy-8-oxooctyl)-2-thiophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[5-(8-methoxy-8-oxooctyl)thiophene-2-carbonyl]benzoic acid Traditional Name: 2-[5-(8-keto-8-methoxy-octyl)thiophene-2-carbonyl]benzoic acid Formula: C21H24O5S MolecularWeight: 388.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC1=CC=C(S1)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC(=O)CCCCCCCC1=CC=C(S1)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H24O5S/c1-26-19(22)12-6-4-2-3-5-9-15-13-14-18(27-15)20(23)16-10-7-8-11-17(16)21(24)25/h7-8,10-11,13-14H,2-6,9,12H2,1H3,(H,24,25)