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

Systemtic Name: 2-nitro-4-[3-(3-nitro-4-oxidanyl-phenyl)pentan-3-yl]phenol Openeye Name: 4-[1-ethyl-1-(4-hydroxy-3-nitro-phenyl)propyl]-2-nitro-phenol CAS Name: 4-[3-(4-hydroxy-3-nitrophenyl)pentan-3-yl]-2-nitrophenol IUPAC Name: 4-[3-(4-hydroxy-3-nitrophenyl)pentan-3-yl]-2-nitrophenol Traditional Name: 4-[1-ethyl-1-(4-hydroxy-3-nitro-phenyl)propyl]-2-nitro-phenol Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6/c1-3-17(4-2,11-5-7-15(20)13(9-11)18(22)23)12-6-8-16(21)14(10-12)19(24)25/h5-10,20-21H,3-4H2,1-2H3