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3-[2-(11-ethylsulfinylundecanoylamino)phenyl]sulfanylpropanoic acid

3-[2-(11-ethylsulfinylundecanoylamino)phenyl]sulfanylpropanoic acid

Systemtic Name:3-[2-(11-ethylsulfinylundecanoylamino)phenyl]sulfanylpropanoic acid
Openeye Name:3-[2-(11-ethylsulfinylundecanoylamino)phenyl]sulfanylpropanoic acid
CAS Name:3-[[2-[(11-ethylsulfinyl-1-oxoundecyl)amino]phenyl]thio]propanoic acid
IUPAC Name:3-[2-(11-ethylsulfinylundecanoylamino)phenyl]sulfanylpropanoic acid
Traditional Name:3-[[2-(11-ethylsulfinylundecanoylamino)phenyl]thio]propionic acid
Formula: C22H35NO4S2
MolecularWeight: 441.6476
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCCCCCCCCCC(=O)NC1=CC=CC=C1SCCC(=O)O


Isomeric SMILES

CCS(=O)CCCCCCCCCCC(=O)NC1=CC=CC=C1SCCC(=O)O


InChI

InChI=1S/C22H35NO4S2/c1-2-29(27)18-12-8-6-4-3-5-7-9-15-21(24)23-19-13-10-11-14-20(19)28-17-16-22(25)26/h10-11,13-14H,2-9,12,15-18H2,1H3,(H,23,24)(H,25,26)


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