4-[2-(8-tert-butylsulfanyloctanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(8-tert-butylsulfanyloctanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(8-tert-butylsulfanyloctanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[8-(tert-butylthio)-1-oxooctyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(8-tert-butylsulfanyloctanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[8-(tert-butylthio)octanoylamino]phenyl]thio]butyric acid Formula: C22H35NO3S2 MolecularWeight: 425.6482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC(C)(C)SCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C22H35NO3S2/c1-22(2,3)28-17-10-6-4-5-7-14-20(24)23-18-12-8-9-13-19(18)27-16-11-15-21(25)26/h8-9,12-13H,4-7,10-11,14-17H2,1-3H3,(H,23,24)(H,25,26)