5-[2-(12-butan-2-ylsulfanyldodecanoylamino)phenoxy]pentanoic acid

Systemtic Name: 5-[2-(12-butan-2-ylsulfanyldodecanoylamino)phenoxy]pentanoic acid Openeye Name: 5-[2-(12-sec-butylsulfanyldodecanoylamino)phenoxy]pentanoic acid CAS Name: 5-[2-[[12-(butan-2-ylthio)-1-oxododecyl]amino]phenoxy]pentanoic acid IUPAC Name: 5-[2-(12-butan-2-ylsulfanyldodecanoylamino)phenoxy]pentanoic acid Traditional Name: 5-[2-[12-(sec-butylthio)dodecanoylamino]phenoxy]valeric acid Formula: C27H45NO4S MolecularWeight: 479.7155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCCC(=O)O

Isomeric SMILES

CCC(C)SCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCCC(=O)O

InChI

InChI=1S/C27H45NO4S/c1-3-23(2)33-22-16-10-8-6-4-5-7-9-11-19-26(29)28-24-17-12-13-18-25(24)32-21-15-14-20-27(30)31/h12-13,17-18,23H,3-11,14-16,19-22H2,1-2H3,(H,28,29)(H,30,31)