5-[2-(10-methylsulfanyldecanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 5-[2-(10-methylsulfanyldecanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 5-[2-(10-methylsulfanyldecanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 5-[[2-[[10-(methylthio)-1-oxodecyl]amino]phenyl]thio]pentanoic acid IUPAC Name: 5-[2-(10-methylsulfanyldecanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 5-[[2-[10-(methylthio)decanoylamino]phenyl]thio]valeric acid Formula: C22H35NO3S2 MolecularWeight: 425.6482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCC(=O)O

Isomeric SMILES

CSCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCC(=O)O

InChI

InChI=1S/C22H35NO3S2/c1-27-17-11-6-4-2-3-5-7-15-21(24)23-19-13-8-9-14-20(19)28-18-12-10-16-22(25)26/h8-9,13-14H,2-7,10-12,15-18H2,1H3,(H,23,24)(H,25,26)