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6-[4-nitro-3-[(3,4,5-trimethoxyphenyl)amino]phenoxy]hexanoic acid

6-[4-nitro-3-[(3,4,5-trimethoxyphenyl)amino]phenoxy]hexanoic acid

Systemtic Name:6-[4-nitro-3-[(3,4,5-trimethoxyphenyl)amino]phenoxy]hexanoic acid
Openeye Name:6-[4-nitro-3-(3,4,5-trimethoxyanilino)phenoxy]hexanoic acid
CAS Name:6-[4-nitro-3-(3,4,5-trimethoxyanilino)phenoxy]hexanoic acid
IUPAC Name:6-[4-nitro-3-(3,4,5-trimethoxyanilino)phenoxy]hexanoic acid
Traditional Name:6-[4-nitro-3-(3,4,5-trimethoxyanilino)phenoxy]hexanoic acid
Formula: C21H26N2O8
MolecularWeight: 434.43974
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC(=C2)OCCCCCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC(=C2)OCCCCCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C21H26N2O8/c1-28-18-11-14(12-19(29-2)21(18)30-3)22-16-13-15(8-9-17(16)23(26)27)31-10-6-4-5-7-20(24)25/h8-9,11-13,22H,4-7,10H2,1-3H3,(H,24,25)


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