2-[(2-carboxy-3-nitro-phenyl)carbonyloxymethylperoxymethyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(2-carboxy-3-nitro-phenyl)carbonyloxymethylperoxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[(2-carboxy-3-nitro-benzoyl)oxymethylperoxymethyl]-6-nitro-benzoic acid CAS Name: 2-[[(2-carboxy-3-nitrophenyl)-oxomethoxy]methyldioxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(2-carboxy-3-nitrobenzoyl)oxymethylperoxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[(2-carboxy-3-nitro-benzoyl)oxymethylperoxymethyl]-6-nitro-benzoic acid Formula: C17H12N2O12 MolecularWeight: 436.28338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O12/c20-15(21)13-9(3-1-5-11(13)18(25)26)7-30-31-8-29-17(24)10-4-2-6-12(19(27)28)14(10)16(22)23/h1-6H,7-8H2,(H,20,21)(H,22,23)