4-[2-(12-butan-2-ylsulfanyldodecanoylamino)-6-methyl-phenoxy]butanoic acid

Systemtic Name: 4-[2-(12-butan-2-ylsulfanyldodecanoylamino)-6-methyl-phenoxy]butanoic acid Openeye Name: 4-[2-methyl-6-(12-sec-butylsulfanyldodecanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[12-(butan-2-ylthio)-1-oxododecyl]amino]-6-methylphenoxy]butanoic acid IUPAC Name: 4-[2-(12-butan-2-ylsulfanyldodecanoylamino)-6-methylphenoxy]butanoic acid Traditional Name: 4-[2-methyl-6-[12-(sec-butylthio)dodecanoylamino]phenoxy]butyric acid Formula: C27H45NO4S MolecularWeight: 479.7155

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCCCCCCCCCCC(=O)NC1=CC=CC(=C1OCCCC(=O)O)C

Isomeric SMILES

CCC(C)SCCCCCCCCCCCC(=O)NC1=CC=CC(=C1OCCCC(=O)O)C

InChI

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