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

Systemtic Name: cerium(3+); 2-oxidanyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-pyridin-2-yl-methyl]chromen-4-one Openeye Name: cerium(3+); 2-hydroxy-3-[(2-hydroxy-4-oxo-chromen-3-yl)-(2-pyridyl)methyl]chromen-4-one CAS Name: cerium(3+); 2-hydroxy-3-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-(2-pyridinyl)methyl]-1-benzopyran-4-one IUPAC Name: cerium(3+); 2-hydroxy-3-[(2-hydroxy-4-oxochromen-3-yl)-pyridin-2-ylmethyl]chromen-4-one Traditional Name: cerium(3+); 2-hydroxy-3-[(2-hydroxy-4-keto-chromen-3-yl)-(2-pyridyl)methyl]chromone Formula: C72H45CeN3O18+3 MolecularWeight: 1380.253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O.C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O.C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O.[Ce+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O.C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O.C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O.[Ce+3]

InChI

InChI=1S/3C24H15NO6.Ce/c3*26-21-13-7-1-3-10-16(13)30-23(28)19(21)18(15-9-5-6-12-25-15)20-22(27)14-8-2-4-11-17(14)31-24(20)29;/h3*1-12,18,28-29H;/q;;;+3