3-nitro-4,5,6-tri(nonyl)benzene-1,2-diolate

Systemtic Name: 3-nitro-4,5,6-tri(nonyl)benzene-1,2-diolate Openeye Name: 3-nitro-4,5,6-tri(nonyl)benzene-1,2-diolate CAS Name: 3-nitro-4,5,6-tri(nonyl)benzene-1,2-diolate IUPAC Name: 3-nitro-4,5,6-tri(nonyl)benzene-1,2-diolate Traditional Name: 3-nitro-4,5,6-tri(nonyl)benzene-1,2-diolate Formula: C33H57NO4-2 MolecularWeight: 531.80998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)[O-])[O-])[N+](=O)[O-])CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)[O-])[O-])[N+](=O)[O-])CCCCCCCCC

InChI

InChI=1S/C33H59NO4/c1-4-7-10-13-16-19-22-25-28-29(26-23-20-17-14-11-8-5-2)31(34(37)38)33(36)32(35)30(28)27-24-21-18-15-12-9-6-3/h35-36H,4-27H2,1-3H3/p-2