4-[2-(12-propylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(12-propylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(12-propylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[1-oxo-12-(propylthio)dodecyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(12-propylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[12-(propylthio)dodecanoylamino]phenyl]thio]butyric acid Formula: C25H41NO3S2 MolecularWeight: 467.72794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CCCSCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C25H41NO3S2/c1-2-19-30-20-13-9-7-5-3-4-6-8-10-17-24(27)26-22-15-11-12-16-23(22)31-21-14-18-25(28)29/h11-12,15-16H,2-10,13-14,17-21H2,1H3,(H,26,27)(H,28,29)