4-[2-(10-phenylsulfanyldecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(10-phenylsulfanyldecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(10-phenylsulfanyldecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[1-oxo-10-(phenylthio)decyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(10-phenylsulfanyldecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[10-(phenylthio)decanoylamino]phenyl]thio]butyric acid Formula: C26H35NO3S2 MolecularWeight: 473.691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3S2/c28-25(27-23-16-10-11-17-24(23)32-21-13-19-26(29)30)18-9-4-2-1-3-5-12-20-31-22-14-7-6-8-15-22/h6-8,10-11,14-17H,1-5,9,12-13,18-21H2,(H,27,28)(H,29,30)