3-nitro-4-[2-(2-nitro-4-oxidanyl-phenyl)propan-2-yl]phenolate

Systemtic Name: 3-nitro-4-[2-(2-nitro-4-oxidanyl-phenyl)propan-2-yl]phenolate Openeye Name: 4-[1-(4-hydroxy-2-nitro-phenyl)-1-methyl-ethyl]-3-nitro-phenolate CAS Name: 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenolate IUPAC Name: 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenolate Traditional Name: 4-[1-(4-hydroxy-2-nitro-phenyl)-1-methyl-ethyl]-3-nitro-phenolate Formula: C15H13N2O6- MolecularWeight: 317.27352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6/c1-15(2,11-5-3-9(18)7-13(11)16(20)21)12-6-4-10(19)8-14(12)17(22)23/h3-8,18-19H,1-2H3/p-1