4,5-bis(oxidanyl)-2-[[3-(phenylcarbonyl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 4,5-bis(oxidanyl)-2-[[3-(phenylcarbonyl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[(3-benzoylphenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione CAS Name: 2-[(3-benzoylphenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione IUPAC Name: 2-[(3-benzoylphenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione Traditional Name: 2-(3-benzoylbenzyl)-4,5-dihydroxy-isoindoline-1,3-quinone Formula: C22H15NO5 MolecularWeight: 373.3582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)CN3C(=O)C4=C(C3=O)C(=C(C=C4)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)CN3C(=O)C4=C(C3=O)C(=C(C=C4)O)O

InChI

InChI=1S/C22H15NO5/c24-17-10-9-16-18(20(17)26)22(28)23(21(16)27)12-13-5-4-8-15(11-13)19(25)14-6-2-1-3-7-14/h1-11,24,26H,12H2