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2-[2-ethyl-4-nitro-3-(6-phenylhexoxy)phenyl]propanoic acid

2-[2-ethyl-4-nitro-3-(6-phenylhexoxy)phenyl]propanoic acid

Systemtic Name:2-[2-ethyl-4-nitro-3-(6-phenylhexoxy)phenyl]propanoic acid
Openeye Name:2-[2-ethyl-4-nitro-3-(6-phenylhexoxy)phenyl]propanoic acid
CAS Name:2-[2-ethyl-4-nitro-3-(6-phenylhexoxy)phenyl]propanoic acid
IUPAC Name:2-[2-ethyl-4-nitro-3-(6-phenylhexoxy)phenyl]propanoic acid
Traditional Name:2-[2-ethyl-4-nitro-3-(6-phenylhexoxy)phenyl]propionic acid
Formula: C23H29NO5
MolecularWeight: 399.48006
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OCCCCCCC2=CC=CC=C2)[N+](=O)[O-])C(C)C(=O)O


Isomeric SMILES

CCC1=C(C=CC(=C1OCCCCCCC2=CC=CC=C2)[N+](=O)[O-])C(C)C(=O)O


InChI

InChI=1S/C23H29NO5/c1-3-19-20(17(2)23(25)26)14-15-21(24(27)28)22(19)29-16-10-5-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-15,17H,3-5,7,10-11,16H2,1-2H3,(H,25,26)


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