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isoindole-1,3-dione hydrate

isoindole-1,3-dione hydrate

Systemtic Name:isoindole-1,3-dione hydrate
Openeye Name:isoindoline-1,3-dione hydrate
CAS Name:isoindole-1,3-dione hydrate
IUPAC Name:isoindole-1,3-dione hydrate
Traditional Name:phthalimide hydrate
Formula: C16H12N2O5
MolecularWeight: 312.27688
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.O


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC2=O.C1=CC=C2C(=C1)C(=O)NC2=O.O


InChI

InChI=1S/2C8H5NO2.H2O/c2*10-7-5-3-1-2-4-6(5)8(11)9-7;/h2*1-4H,(H,9,10,11);1H2


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