bis(3-nitro-4-oxidanyl-5-propan-2-yl-phenyl)methanone

Systemtic Name: bis(3-nitro-4-oxidanyl-5-propan-2-yl-phenyl)methanone Openeye Name: bis(4-hydroxy-3-isopropyl-5-nitro-phenyl)methanone CAS Name: bis(4-hydroxy-3-nitro-5-propan-2-ylphenyl)methanone IUPAC Name: bis(4-hydroxy-3-nitro-5-propan-2-ylphenyl)methanone Traditional Name: bis(4-hydroxy-3-isopropyl-5-nitro-phenyl)methanone Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-9(2)13-5-11(7-15(18(13)23)20(25)26)17(22)12-6-14(10(3)4)19(24)16(8-12)21(27)28/h5-10,23-24H,1-4H3