2-(2,4-dipentylphenoxy)-5-nitro-benzoic acid

Systemtic Name: 2-(2,4-dipentylphenoxy)-5-nitro-benzoic acid Openeye Name: 2-(2,4-dipentylphenoxy)-5-nitro-benzoic acid CAS Name: 2-(2,4-dipentylphenoxy)-5-nitrobenzoic acid IUPAC Name: 2-(2,4-dipentylphenoxy)-5-nitrobenzoic acid Traditional Name: 2-(2,4-diamylphenoxy)-5-nitro-benzoic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)CCCCC

InChI

InChI=1S/C23H29NO5/c1-3-5-7-9-17-11-13-21(18(15-17)10-8-6-4-2)29-22-14-12-19(24(27)28)16-20(22)23(25)26/h11-16H,3-10H2,1-2H3,(H,25,26)