4-[2-(16-methylsulfanylhexadecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(16-methylsulfanylhexadecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(16-methylsulfanylhexadecanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[16-(methylthio)-1-oxohexadecyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(16-methylsulfanylhexadecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-[16-(methylthio)hexadecanoylamino]phenoxy]butyric acid Formula: C27H45NO4S MolecularWeight: 479.7155

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

Isomeric SMILES

CSCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

InChI

InChI=1S/C27H45NO4S/c1-33-23-16-12-10-8-6-4-2-3-5-7-9-11-13-20-26(29)28-24-18-14-15-19-25(24)32-22-17-21-27(30)31/h14-15,18-19H,2-13,16-17,20-23H2,1H3,(H,28,29)(H,30,31)