3,4-dihexyl-5-nitro-benzene-1,2-diolate

Systemtic Name: 3,4-dihexyl-5-nitro-benzene-1,2-diolate Openeye Name: 3,4-dihexyl-5-nitro-benzene-1,2-diolate CAS Name: 3,4-dihexyl-5-nitrobenzene-1,2-diolate IUPAC Name: 3,4-dihexyl-5-nitrobenzene-1,2-diolate Traditional Name: 3,4-dihexyl-5-nitro-benzene-1,2-diolate Formula: C18H27NO4-2 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[O-])[O-])CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[O-])[O-])CCCCCC

InChI

InChI=1S/C18H29NO4/c1-3-5-7-9-11-14-15(12-10-8-6-4-2)18(21)17(20)13-16(14)19(22)23/h13,20-21H,3-12H2,1-2H3/p-2