2-nitro-5-[4-(4-nitro-3-oxidanyl-phenyl)hexan-3-yl]phenol

Systemtic Name: 2-nitro-5-[4-(4-nitro-3-oxidanyl-phenyl)hexan-3-yl]phenol Openeye Name: 5-[1-ethyl-2-(3-hydroxy-4-nitro-phenyl)butyl]-2-nitro-phenol CAS Name: 5-[4-(3-hydroxy-4-nitrophenyl)hexan-3-yl]-2-nitrophenol IUPAC Name: 5-[4-(3-hydroxy-4-nitrophenyl)hexan-3-yl]-2-nitrophenol Traditional Name: 5-[1-ethyl-2-(3-hydroxy-4-nitro-phenyl)butyl]-2-nitro-phenol Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-3-13(11-5-7-15(19(23)24)17(21)9-11)14(4-2)12-6-8-16(20(25)26)18(22)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3