4-[2-[10-(phenylmethylsulfanyl)decanoylamino]phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-[10-(phenylmethylsulfanyl)decanoylamino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(10-benzylsulfanyldecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[1-oxo-10-(phenylmethylthio)decyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(10-benzylsulfanyldecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[10-(benzylthio)decanoylamino]phenyl]thio]butyric acid Formula: C27H37NO3S2 MolecularWeight: 487.71758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCCCCCCC(=O)NC2=CC=CC=C2SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCCCCCCC(=O)NC2=CC=CC=C2SCCCC(=O)O

InChI

InChI=1S/C27H37NO3S2/c29-26(28-24-16-10-11-17-25(24)33-21-13-19-27(30)31)18-9-4-2-1-3-5-12-20-32-22-23-14-7-6-8-15-23/h6-8,10-11,14-17H,1-5,9,12-13,18-22H2,(H,28,29)(H,30,31)