4-[2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(11-isopropylsulfanylundecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[1-oxo-11-(propan-2-ylthio)undecyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[11-(isopropylthio)undecanoylamino]phenyl]thio]butyric acid Formula: C24H39NO3S2 MolecularWeight: 453.70136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO3S2/c1-20(2)29-18-12-8-6-4-3-5-7-9-16-23(26)25-21-14-10-11-15-22(21)30-19-13-17-24(27)28/h10-11,14-15,20H,3-9,12-13,16-19H2,1-2H3,(H,25,26)(H,27,28)