2-chloranyl-4-[3-(3-chloranyl-5-nitro-4-oxidanyl-phenyl)pentan-3-yl]-6-nitro-phenol

Systemtic Name: 2-chloranyl-4-[3-(3-chloranyl-5-nitro-4-oxidanyl-phenyl)pentan-3-yl]-6-nitro-phenol Openeye Name: 2-chloro-4-[1-(3-chloro-4-hydroxy-5-nitro-phenyl)-1-ethyl-propyl]-6-nitro-phenol CAS Name: 2-chloro-4-[3-(3-chloro-4-hydroxy-5-nitrophenyl)pentan-3-yl]-6-nitrophenol IUPAC Name: 2-chloro-4-[3-(3-chloro-4-hydroxy-5-nitrophenyl)pentan-3-yl]-6-nitrophenol Traditional Name: 2-chloro-4-[1-(3-chloro-4-hydroxy-5-nitro-phenyl)-1-ethyl-propyl]-6-nitro-phenol Formula: C17H16Cl2N2O6 MolecularWeight: 415.22474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N2O6/c1-3-17(4-2,9-5-11(18)15(22)13(7-9)20(24)25)10-6-12(19)16(23)14(8-10)21(26)27/h5-8,22-23H,3-4H2,1-2H3