hexyl 3-nitro-4,5-bis(oxidanyl)benzoate

Systemtic Name: hexyl 3-nitro-4,5-bis(oxidanyl)benzoate Openeye Name: hexyl 3,4-dihydroxy-5-nitro-benzoate CAS Name: 3,4-dihydroxy-5-nitrobenzoic acid hexyl ester IUPAC Name: hexyl 3,4-dihydroxy-5-nitrobenzoate Traditional Name: 3,4-dihydroxy-5-nitro-benzoic acid hexyl ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-2-3-4-5-6-20-13(17)9-7-10(14(18)19)12(16)11(15)8-9/h7-8,15-16H,2-6H2,1H3