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2-fluoranyl-4-[2-(12-sulfinododecanoylamino)phenoxy]butanoic acid

2-fluoranyl-4-[2-(12-sulfinododecanoylamino)phenoxy]butanoic acid

Systemtic Name:2-fluoranyl-4-[2-(12-sulfinododecanoylamino)phenoxy]butanoic acid
Openeye Name:2-fluoro-4-[2-(12-sulfinododecanoylamino)phenoxy]butanoic acid
CAS Name:2-fluoro-4-[2-[(1-oxo-12-sulfinododecyl)amino]phenoxy]butanoic acid
IUPAC Name:2-fluoro-4-[2-(12-sulfinododecanoylamino)phenoxy]butanoic acid
Traditional Name:2-fluoro-4-[2-(12-sulfinododecanoylamino)phenoxy]butyric acid
Formula: C22H34FNO6S
MolecularWeight: 459.571863
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCS(=O)O)OCCC(C(=O)O)F


Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCS(=O)O)OCCC(C(=O)O)F


InChI

InChI=1S/C22H34FNO6S/c23-18(22(26)27)15-16-30-20-13-10-9-12-19(20)24-21(25)14-8-6-4-2-1-3-5-7-11-17-31(28)29/h9-10,12-13,18H,1-8,11,14-17H2,(H,24,25)(H,26,27)(H,28,29)


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