4-[2-(12-ethylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(12-ethylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(12-ethylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[12-(ethylthio)-1-oxododecyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(12-ethylsulfanyldodecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[12-(ethylthio)dodecanoylamino]phenyl]thio]butyric acid Formula: C24H39NO3S2 MolecularWeight: 453.70136

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CCSCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C24H39NO3S2/c1-2-29-19-13-9-7-5-3-4-6-8-10-17-23(26)25-21-15-11-12-16-22(21)30-20-14-18-24(27)28/h11-12,15-16H,2-10,13-14,17-20H2,1H3,(H,25,26)(H,27,28)