3-(3-hexadecan-5-yloxythiophen-2-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(3-hexadecan-5-yloxythiophen-2-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(1-butyldodecoxy)-2-thienyl]-3-oxo-propanoic acid CAS Name: 3-(3-hexadecan-5-yloxy-2-thiophenyl)-3-oxopropanoic acid IUPAC Name: 3-(3-hexadecan-5-yloxythiophen-2-yl)-3-oxopropanoic acid Traditional Name: 3-[3-(1-butyldodecoxy)-2-thienyl]-3-keto-propionic acid Formula: C23H38O4S MolecularWeight: 410.61042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCC)OC1=C(SC=C1)C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCCC)OC1=C(SC=C1)C(=O)CC(=O)O

InChI

InChI=1S/C23H38O4S/c1-3-5-7-8-9-10-11-12-13-15-19(14-6-4-2)27-21-16-17-28-23(21)20(24)18-22(25)26/h16-17,19H,3-15,18H2,1-2H3,(H,25,26)