4-chloranyl-2-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-(2-methylpropoxy)methyl]-6-nitro-phenol

Systemtic Name: 4-chloranyl-2-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-(2-methylpropoxy)methyl]-6-nitro-phenol Openeye Name: 4-chloro-2-[(5-chloro-2-hydroxy-3-nitro-phenyl)-isobutoxy-methyl]-6-nitro-phenol CAS Name: 4-chloro-2-[(5-chloro-2-hydroxy-3-nitrophenyl)-(2-methylpropoxy)methyl]-6-nitrophenol IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxy-3-nitrophenyl)-(2-methylpropoxy)methyl]-6-nitrophenol Traditional Name: 4-chloro-2-[(5-chloro-2-hydroxy-3-nitro-phenyl)-isobutoxy-methyl]-6-nitro-phenol Formula: C17H16Cl2N2O7 MolecularWeight: 431.22414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(C1=CC(=CC(=C1O)[N+](=O)[O-])Cl)C2=CC(=CC(=C2O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)COC(C1=CC(=CC(=C1O)[N+](=O)[O-])Cl)C2=CC(=CC(=C2O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16Cl2N2O7/c1-8(2)7-28-17(11-3-9(18)5-13(15(11)22)20(24)25)12-4-10(19)6-14(16(12)23)21(26)27/h3-6,8,17,22-23H,7H2,1-2H3