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

Systemtic Name: 3-nitro-4,5,6-trioctyl-benzene-1,2-diolate Openeye Name: 3-nitro-4,5,6-trioctyl-benzene-1,2-diolate CAS Name: 3-nitro-4,5,6-trioctylbenzene-1,2-diolate IUPAC Name: 3-nitro-4,5,6-trioctylbenzene-1,2-diolate Traditional Name: 3-nitro-4,5,6-trioctyl-benzene-1,2-diolate Formula: C30H51NO4-2 MolecularWeight: 489.73024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)[O-])[O-])[N+](=O)[O-])CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)[O-])[O-])[N+](=O)[O-])CCCCCCCC

InChI

InChI=1S/C30H53NO4/c1-4-7-10-13-16-19-22-25-26(23-20-17-14-11-8-5-2)28(31(34)35)30(33)29(32)27(25)24-21-18-15-12-9-6-3/h32-33H,4-24H2,1-3H3/p-2