3-heptyl-4-nitro-benzene-1,2-diolate

Systemtic Name: 3-heptyl-4-nitro-benzene-1,2-diolate Openeye Name: 3-heptyl-4-nitro-benzene-1,2-diolate CAS Name: 3-heptyl-4-nitrobenzene-1,2-diolate IUPAC Name: 3-heptyl-4-nitrobenzene-1,2-diolate Traditional Name: 3-heptyl-4-nitro-benzene-1,2-diolate Formula: C13H17NO4-2 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=CC(=C1[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=C(C=CC(=C1[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19NO4/c1-2-3-4-5-6-7-10-11(14(17)18)8-9-12(15)13(10)16/h8-9,15-16H,2-7H2,1H3/p-2