2-[[4-(2-carboxy-3-nitro-phenyl)carbonyloxynaphthalen-1-yl]peroxymethyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[4-(2-carboxy-3-nitro-phenyl)carbonyloxynaphthalen-1-yl]peroxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[[4-(2-carboxy-3-nitro-benzoyl)oxy-1-naphthyl]peroxymethyl]-6-nitro-benzoic acid CAS Name: 2-[[4-[(2-carboxy-3-nitrophenyl)-oxomethoxy]-1-naphthalenyl]dioxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[4-(2-carboxy-3-nitrobenzoyl)oxynaphthalen-1-yl]peroxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[[4-(2-carboxy-3-nitro-benzoyl)oxy-1-naphthyl]peroxymethyl]-6-nitro-benzoic acid Formula: C26H16N2O12 MolecularWeight: 548.41144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2OOCC3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O)OC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2OOCC3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O)OC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H16N2O12/c29-24(30)22-14(5-3-9-18(22)27(34)35)13-38-40-21-12-11-20(15-6-1-2-7-16(15)21)39-26(33)17-8-4-10-19(28(36)37)23(17)25(31)32/h1-12H,13H2,(H,29,30)(H,31,32)