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4-[2-(13-propylsulfanyltridecanoylamino)phenoxy]butanoic acid

4-[2-(13-propylsulfanyltridecanoylamino)phenoxy]butanoic acid

Systemtic Name:4-[2-(13-propylsulfanyltridecanoylamino)phenoxy]butanoic acid
Openeye Name:4-[2-(13-propylsulfanyltridecanoylamino)phenoxy]butanoic acid
CAS Name:4-[2-[[1-oxo-13-(propylthio)tridecyl]amino]phenoxy]butanoic acid
IUPAC Name:4-[2-(13-propylsulfanyltridecanoylamino)phenoxy]butanoic acid
Traditional Name:4-[2-[13-(propylthio)tridecanoylamino]phenoxy]butyric acid
Formula: C26H43NO4S
MolecularWeight: 465.68892
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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


Isomeric SMILES

CCCSCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


InChI

InChI=1S/C26H43NO4S/c1-2-21-32-22-14-10-8-6-4-3-5-7-9-11-18-25(28)27-23-16-12-13-17-24(23)31-20-15-19-26(29)30/h12-13,16-17H,2-11,14-15,18-22H2,1H3,(H,27,28)(H,29,30)


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