2-methylisoindole-1,3-dione hydrate

Systemtic Name: 2-methylisoindole-1,3-dione hydrate Openeye Name: 2-methylisoindoline-1,3-dione hydrate CAS Name: 2-methylisoindole-1,3-dione hydrate IUPAC Name: 2-methylisoindole-1,3-dione hydrate Traditional Name: 2-methylisoindoline-1,3-quinone hydrate Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1=O.CN1C(=O)C2=CC=CC=C2C1=O.O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1=O.CN1C(=O)C2=CC=CC=C2C1=O.O

InChI

InChI=1S/2C9H7NO2.H2O/c2*1-10-8(11)6-4-2-3-5-7(6)9(10)12;/h2*2-5H,1H3;1H2