iron; 3-oxidanyl-2-(4-phenylmethoxyphenyl)chromen-4-one

Systemtic Name: iron; 3-oxidanyl-2-(4-phenylmethoxyphenyl)chromen-4-one Openeye Name: 2-(4-benzyloxyphenyl)-3-hydroxy-chromen-4-one; iron CAS Name: 3-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzopyran-4-one; iron IUPAC Name: 3-hydroxy-2-(4-phenylmethoxyphenyl)chromen-4-one; iron Traditional Name: 2-(4-benzoxyphenyl)-3-hydroxy-chromone; iron Formula: C66H48FeO12 MolecularWeight: 1088.92512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O.[Fe]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O.[Fe]

InChI

InChI=1S/3C22H16O4.Fe/c3*23-20-18-8-4-5-9-19(18)26-22(21(20)24)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15;/h3*1-13,24H,14H2;