phenoxazin-3-one hydrate

Systemtic Name: phenoxazin-3-one hydrate Openeye Name: phenoxazin-3-one hydrate CAS Name: 3-phenoxazinone hydrate IUPAC Name: phenoxazin-3-one hydrate Traditional Name: phenoxazin-3-one hydrate Formula: C24H16N2O5 MolecularWeight: 412.39424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2.O

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2.O

InChI

InChI=1S/2C12H7NO2.H2O/c2*14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10;/h2*1-7H;1H2