4-(3,4-dinitrophenyl)carbonylphthalic acid

Systemtic Name: 4-(3,4-dinitrophenyl)carbonylphthalic acid Openeye Name: 4-(3,4-dinitrobenzoyl)phthalic acid CAS Name: 4-[(3,4-dinitrophenyl)-oxomethyl]phthalic acid IUPAC Name: 4-(3,4-dinitrobenzoyl)phthalic acid Traditional Name: 4-(3,4-dinitrobenzoyl)phthalic acid Formula: C15H8N2O9 MolecularWeight: 360.23202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C15H8N2O9/c18-13(7-1-3-9(14(19)20)10(5-7)15(21)22)8-2-4-11(16(23)24)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)