4-[2-(12-methylsulfanyldodecanoylamino)-5-(trifluoromethyl)phenoxy]butanoic acid

Systemtic Name: 4-[2-(12-methylsulfanyldodecanoylamino)-5-(trifluoromethyl)phenoxy]butanoic acid Openeye Name: 4-[2-(12-methylsulfanyldodecanoylamino)-5-(trifluoromethyl)phenoxy]butanoic acid CAS Name: 4-[2-[[12-(methylthio)-1-oxododecyl]amino]-5-(trifluoromethyl)phenoxy]butanoic acid IUPAC Name: 4-[2-(12-methylsulfanyldodecanoylamino)-5-(trifluoromethyl)phenoxy]butanoic acid Traditional Name: 4-[2-[12-(methylthio)dodecanoylamino]-5-(trifluoromethyl)phenoxy]butyric acid Formula: C24H36F3NO4S MolecularWeight: 491.60715

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)OCCCC(=O)O

Isomeric SMILES

CSCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)OCCCC(=O)O

InChI

InChI=1S/C24H36F3NO4S/c1-33-17-10-8-6-4-2-3-5-7-9-12-22(29)28-20-15-14-19(24(25,26)27)18-21(20)32-16-11-13-23(30)31/h14-15,18H,2-13,16-17H2,1H3,(H,28,29)(H,30,31)