(4-methanoyl-2-methyl-6-nitro-3-oxidanyl-phenyl) docosanoate

Systemtic Name: (4-methanoyl-2-methyl-6-nitro-3-oxidanyl-phenyl) docosanoate Openeye Name: (4-formyl-3-hydroxy-2-methyl-6-nitro-phenyl) docosanoate CAS Name: docosanoic acid (4-formyl-3-hydroxy-2-methyl-6-nitrophenyl) ester IUPAC Name: (4-formyl-3-hydroxy-2-methyl-6-nitrophenyl) docosanoate Traditional Name: behenic acid (4-formyl-3-hydroxy-2-methyl-6-nitro-phenyl) ester Formula: C30H49NO6 MolecularWeight: 519.71316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C(=C1C)O)C=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C(=C1C)O)C=O)[N+](=O)[O-]

InChI

InChI=1S/C30H49NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(33)37-30-25(2)29(34)26(24-32)23-27(30)31(35)36/h23-24,34H,3-22H2,1-2H3