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4-[2-(9-tert-butylsulfanylnonanoylamino)phenoxy]butanoic acid

4-[2-(9-tert-butylsulfanylnonanoylamino)phenoxy]butanoic acid

Systemtic Name:4-[2-(9-tert-butylsulfanylnonanoylamino)phenoxy]butanoic acid
Openeye Name:4-[2-(9-tert-butylsulfanylnonanoylamino)phenoxy]butanoic acid
CAS Name:4-[2-[[9-(tert-butylthio)-1-oxononyl]amino]phenoxy]butanoic acid
IUPAC Name:4-[2-(9-tert-butylsulfanylnonanoylamino)phenoxy]butanoic acid
Traditional Name:4-[2-[9-(tert-butylthio)nonanoylamino]phenoxy]butyric acid
Formula: C23H37NO4S
MolecularWeight: 423.60918
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


Isomeric SMILES

CC(C)(C)SCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


InChI

InChI=1S/C23H37NO4S/c1-23(2,3)29-18-11-7-5-4-6-8-15-21(25)24-19-13-9-10-14-20(19)28-17-12-16-22(26)27/h9-10,13-14H,4-8,11-12,15-18H2,1-3H3,(H,24,25)(H,26,27)


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