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5-nitro-2-(3-pentadecylphenoxy)benzoic acid

5-nitro-2-(3-pentadecylphenoxy)benzoic acid

Systemtic Name:5-nitro-2-(3-pentadecylphenoxy)benzoic acid
Openeye Name:5-nitro-2-(3-pentadecylphenoxy)benzoic acid
CAS Name:5-nitro-2-(3-pentadecylphenoxy)benzoic acid
IUPAC Name:5-nitro-2-(3-pentadecylphenoxy)benzoic acid
Traditional Name:5-nitro-2-(3-pentadecylphenoxy)benzoic acid
Formula: C28H39NO5
MolecularWeight: 469.61296
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C28H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-25(21-23)34-27-20-19-24(29(32)33)22-26(27)28(30)31/h15,17-22H,2-14,16H2,1H3,(H,30,31)


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