cerium; 2-oxidanyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-phenyl-methyl]chromen-4-one; hydrate

Systemtic Name: cerium; 2-oxidanyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-phenyl-methyl]chromen-4-one; hydrate Openeye Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-oxo-chromen-3-yl)-phenyl-methyl]chromen-4-one; hydrate CAS Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-phenylmethyl]-1-benzopyran-4-one; hydrate IUPAC Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-oxochromen-3-yl)-phenylmethyl]chromen-4-one; hydrate Traditional Name: cerium; 2-hydroxy-3-[(2-hydroxy-4-keto-chromen-3-yl)-phenyl-methyl]chromone; hydrate Formula: C25H18CeO7 MolecularWeight: 570.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(OC3=CC=CC=C3C2=O)O)C4=C(OC5=CC=CC=C5C4=O)O.O.[Ce]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C(OC3=CC=CC=C3C2=O)O)C4=C(OC5=CC=CC=C5C4=O)O.O.[Ce]

InChI

InChI=1S/C25H16O6.Ce.H2O/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29;;/h1-13,19,28-29H;;1H2