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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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