4-[2-(18-methylsulfanyloctadecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(18-methylsulfanyloctadecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(18-methylsulfanyloctadecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[18-(methylthio)-1-oxooctadecyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(18-methylsulfanyloctadecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[18-(methylthio)octadecanoylamino]phenyl]thio]butyric acid Formula: C29H49NO3S2 MolecularWeight: 523.83426

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CSCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C29H49NO3S2/c1-34-24-18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-22-28(31)30-26-20-16-17-21-27(26)35-25-19-23-29(32)33/h16-17,20-21H,2-15,18-19,22-25H2,1H3,(H,30,31)(H,32,33)