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

Systemtic Name: 3,4-diheptyl-5-nitro-benzene-1,2-diolate Openeye Name: 3,4-diheptyl-5-nitro-benzene-1,2-diolate CAS Name: 3,4-diheptyl-5-nitrobenzene-1,2-diolate IUPAC Name: 3,4-diheptyl-5-nitrobenzene-1,2-diolate Traditional Name: 3,4-diheptyl-5-nitro-benzene-1,2-diolate Formula: C20H31NO4-2 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4/c1-3-5-7-9-11-13-16-17(14-12-10-8-6-4-2)20(23)19(22)15-18(16)21(24)25/h15,22-23H,3-14H2,1-2H3/p-2