4-[2-(13-butylsulfanyltridecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(13-butylsulfanyltridecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(13-butylsulfanyltridecanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[13-(butylthio)-1-oxotridecyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(13-butylsulfanyltridecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-[13-(butylthio)tridecanoylamino]phenoxy]butyric acid Formula: C27H45NO4S MolecularWeight: 479.7155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

Isomeric SMILES

CCCCSCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

InChI

InChI=1S/C27H45NO4S/c1-2-3-22-33-23-15-11-9-7-5-4-6-8-10-12-19-26(29)28-24-17-13-14-18-25(24)32-21-16-20-27(30)31/h13-14,17-18H,2-12,15-16,19-23H2,1H3,(H,28,29)(H,30,31)