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5-[4-nitro-2-(11-sulfoundecanoylamino)phenoxy]pentanoic acid

5-[4-nitro-2-(11-sulfoundecanoylamino)phenoxy]pentanoic acid

Systemtic Name:5-[4-nitro-2-(11-sulfoundecanoylamino)phenoxy]pentanoic acid
Openeye Name:5-[4-nitro-2-(11-sulfoundecanoylamino)phenoxy]pentanoic acid
CAS Name:5-[4-nitro-2-[(1-oxo-11-sulfoundecyl)amino]phenoxy]pentanoic acid
IUPAC Name:5-[4-nitro-2-(11-sulfoundecanoylamino)phenoxy]pentanoic acid
Traditional Name:5-[4-nitro-2-(11-sulfoundecanoylamino)phenoxy]valeric acid
Formula: C22H34N2O9S
MolecularWeight: 502.57836
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCCCCCCCCS(=O)(=O)O)OCCCCC(=O)O


Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCCCCCCCCS(=O)(=O)O)OCCCCC(=O)O


InChI

InChI=1S/C22H34N2O9S/c25-21(11-7-5-3-1-2-4-6-10-16-34(30,31)32)23-19-17-18(24(28)29)13-14-20(19)33-15-9-8-12-22(26)27/h13-14,17H,1-12,15-16H2,(H,23,25)(H,26,27)(H,30,31,32)


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