4-[2-(15-methylsulfanylpentadecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(15-methylsulfanylpentadecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(15-methylsulfanylpentadecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[15-(methylthio)-1-oxopentadecyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(15-methylsulfanylpentadecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[15-(methylthio)pentadecanoylamino]phenyl]thio]butyric acid Formula: C26H43NO3S2 MolecularWeight: 481.75452

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CSCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C26H43NO3S2/c1-31-21-15-11-9-7-5-3-2-4-6-8-10-12-19-25(28)27-23-17-13-14-18-24(23)32-22-16-20-26(29)30/h13-14,17-18H,2-12,15-16,19-22H2,1H3,(H,27,28)(H,29,30)