(4-hexoxyphenyl) 2,4-dinitrobenzoate

Systemtic Name: (4-hexoxyphenyl) 2,4-dinitrobenzoate Openeye Name: (4-hexoxyphenyl) 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (4-hexoxyphenyl) ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c1-2-3-4-5-12-27-15-7-9-16(10-8-15)28-19(22)17-11-6-14(20(23)24)13-18(17)21(25)26/h6-11,13H,2-5,12H2,1H3