6-[2-(11-tert-butylsulfanylundecanoylamino)phenyl]sulfanylhexanoic acid

Systemtic Name: 6-[2-(11-tert-butylsulfanylundecanoylamino)phenyl]sulfanylhexanoic acid Openeye Name: 6-[2-(11-tert-butylsulfanylundecanoylamino)phenyl]sulfanylhexanoic acid CAS Name: 6-[[2-[[11-(tert-butylthio)-1-oxoundecyl]amino]phenyl]thio]hexanoic acid IUPAC Name: 6-[2-(11-tert-butylsulfanylundecanoylamino)phenyl]sulfanylhexanoic acid Traditional Name: 6-[[2-[11-(tert-butylthio)undecanoylamino]phenyl]thio]hexanoic acid Formula: C27H45NO3S2 MolecularWeight: 495.7811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)SCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCCC(=O)O

InChI

InChI=1S/C27H45NO3S2/c1-27(2,3)33-22-16-9-7-5-4-6-8-11-19-25(29)28-23-17-13-14-18-24(23)32-21-15-10-12-20-26(30)31/h13-14,17-18H,4-12,15-16,19-22H2,1-3H3,(H,28,29)(H,30,31)