3-[2-(12-tert-butylsulfanyldodecanoylamino)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(12-tert-butylsulfanyldodecanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-(12-tert-butylsulfanyldodecanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-[[12-(tert-butylthio)-1-oxododecyl]amino]phenyl]thio]propanoic acid IUPAC Name: 3-[2-(12-tert-butylsulfanyldodecanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[12-(tert-butylthio)dodecanoylamino]phenyl]thio]propionic acid Formula: C25H41NO3S2 MolecularWeight: 467.72794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCC(=O)O

Isomeric SMILES

CC(C)(C)SCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCC(=O)O

InChI

InChI=1S/C25H41NO3S2/c1-25(2,3)31-19-14-10-8-6-4-5-7-9-11-17-23(27)26-21-15-12-13-16-22(21)30-20-18-24(28)29/h12-13,15-16H,4-11,14,17-20H2,1-3H3,(H,26,27)(H,28,29)