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4-nitro-3-[6-(2-phenylmethoxyphenyl)hexoxy]benzoic acid

4-nitro-3-[6-(2-phenylmethoxyphenyl)hexoxy]benzoic acid

Systemtic Name:4-nitro-3-[6-(2-phenylmethoxyphenyl)hexoxy]benzoic acid
Openeye Name:3-[6-(2-benzyloxyphenyl)hexoxy]-4-nitro-benzoic acid
CAS Name:4-nitro-3-[6-(2-phenylmethoxyphenyl)hexoxy]benzoic acid
IUPAC Name:4-nitro-3-[6-(2-phenylmethoxyphenyl)hexoxy]benzoic acid
Traditional Name:3-[6-(2-benzoxyphenyl)hexoxy]-4-nitro-benzoic acid
Formula: C26H27NO6
MolecularWeight: 449.49568
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2CCCCCCOC3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CCCCCCOC3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C26H27NO6/c28-26(29)22-15-16-23(27(30)31)25(18-22)32-17-9-2-1-6-12-21-13-7-8-14-24(21)33-19-20-10-4-3-5-11-20/h3-5,7-8,10-11,13-16,18H,1-2,6,9,12,17,19H2,(H,28,29)


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