2-nitro-4-[2-(3-nitro-4-oxidanyl-phenyl)octan-2-yl]phenol

Systemtic Name: 2-nitro-4-[2-(3-nitro-4-oxidanyl-phenyl)octan-2-yl]phenol Openeye Name: 4-[1-(4-hydroxy-3-nitro-phenyl)-1-methyl-heptyl]-2-nitro-phenol CAS Name: 4-[2-(4-hydroxy-3-nitrophenyl)octan-2-yl]-2-nitrophenol IUPAC Name: 4-[2-(4-hydroxy-3-nitrophenyl)octan-2-yl]-2-nitrophenol Traditional Name: 4-[1-(4-hydroxy-3-nitro-phenyl)-1-methyl-heptyl]-2-nitro-phenol Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C1=CC(=C(C=C1)O)[N+](=O)[O-])C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)(C1=CC(=C(C=C1)O)[N+](=O)[O-])C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6/c1-3-4-5-6-11-20(2,14-7-9-18(23)16(12-14)21(25)26)15-8-10-19(24)17(13-15)22(27)28/h7-10,12-13,23-24H,3-6,11H2,1-2H3