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4-[2-(11-sulfoundecanoylamino)phenoxy]butanoic acid

4-[2-(11-sulfoundecanoylamino)phenoxy]butanoic acid

Systemtic Name:4-[2-(11-sulfoundecanoylamino)phenoxy]butanoic acid
Openeye Name:4-[2-(11-sulfoundecanoylamino)phenoxy]butanoic acid
CAS Name:4-[2-[(1-oxo-11-sulfoundecyl)amino]phenoxy]butanoic acid
IUPAC Name:4-[2-(11-sulfoundecanoylamino)phenoxy]butanoic acid
Traditional Name:4-[2-(11-sulfoundecanoylamino)phenoxy]butyric acid
Formula: C21H33NO7S
MolecularWeight: 443.55422
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCS(=O)(=O)O)OCCCC(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCS(=O)(=O)O)OCCCC(=O)O


InChI

InChI=1S/C21H33NO7S/c23-20(14-7-5-3-1-2-4-6-10-17-30(26,27)28)22-18-12-8-9-13-19(18)29-16-11-15-21(24)25/h8-9,12-13H,1-7,10-11,14-17H2,(H,22,23)(H,24,25)(H,26,27,28)


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