5-(2-ethylhexoxy)-2-nitro-benzoic acid

Systemtic Name: 5-(2-ethylhexoxy)-2-nitro-benzoic acid Openeye Name: 5-(2-ethylhexoxy)-2-nitro-benzoic acid CAS Name: 5-(2-ethylhexoxy)-2-nitrobenzoic acid IUPAC Name: 5-(2-ethylhexoxy)-2-nitrobenzoic acid Traditional Name: 5-(2-ethylhexoxy)-2-nitro-benzoic acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC(CC)COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H21NO5/c1-3-5-6-11(4-2)10-21-12-7-8-14(16(19)20)13(9-12)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)