cerium; 2-oxidanyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-(1H-pyrazol-5-yl)methyl]chromen-4-one; hydrate

Systemtic Name: cerium; 2-oxidanyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-(1H-pyrazol-5-yl)methyl]chromen-4-one; hydrate Openeye Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-oxo-chromen-3-yl)-(1H-pyrazol-5-yl)methyl]chromen-4-one; hydrate CAS Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-(1H-pyrazol-5-yl)methyl]-1-benzopyran-4-one; hydrate IUPAC Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-oxochromen-3-yl)-(1H-pyrazol-5-yl)methyl]chromen-4-one; hydrate Traditional Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-keto-chromen-3-yl)-(1H-pyrazol-5-yl)methyl]chromone; hydrate Formula: C22H16CeN2O7 MolecularWeight: 560.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=NN3)C4=C(OC5=CC=CC=C5C4=O)O.O.[Ce]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=NN3)C4=C(OC5=CC=CC=C5C4=O)O.O.[Ce]

InChI

InChI=1S/C22H14N2O6.Ce.H2O/c25-19-11-5-1-3-7-14(11)29-21(27)17(19)16(13-9-10-23-24-13)18-20(26)12-6-2-4-8-15(12)30-22(18)28;;/h1-10,16,27-28H,(H,23,24);;1H2