isoindole-1,3-dione; 4-methylisoindole-1,3-dione

Systemtic Name: isoindole-1,3-dione; 4-methylisoindole-1,3-dione Openeye Name: isoindoline-1,3-dione; 4-methylisoindoline-1,3-dione CAS Name: isoindole-1,3-dione; 4-methylisoindole-1,3-dione IUPAC Name: isoindole-1,3-dione; 4-methylisoindole-1,3-dione Traditional Name: 4-methylisoindoline-1,3-quinone; phthalimide Formula: C73H47N9O18 MolecularWeight: 1338.20378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC2=C1C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O

InChI

InChI=1S/C9H7NO2.8C8H5NO2/c1-5-3-2-4-6-7(5)9(12)10-8(6)11;8*10-7-5-3-1-2-4-6(5)8(11)9-7/h2-4H,1H3,(H,10,11,12);8*1-4H,(H,9,10,11)