3-nitro-4,5,6-tripentyl-benzene-1,2-diolate

Systemtic Name: 3-nitro-4,5,6-tripentyl-benzene-1,2-diolate Openeye Name: 3-nitro-4,5,6-tripentyl-benzene-1,2-diolate CAS Name: 3-nitro-4,5,6-tripentylbenzene-1,2-diolate IUPAC Name: 3-nitro-4,5,6-tripentylbenzene-1,2-diolate Traditional Name: 3,4,5-triamyl-6-nitro-benzene-1,2-diolate Formula: C21H33NO4-2 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1CCCCC)[O-])[O-])[N+](=O)[O-])CCCCC

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1CCCCC)[O-])[O-])[N+](=O)[O-])CCCCC

InChI

InChI=1S/C21H35NO4/c1-4-7-10-13-16-17(14-11-8-5-2)19(22(25)26)21(24)20(23)18(16)15-12-9-6-3/h23-24H,4-15H2,1-3H3/p-2