3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one; cyclopentane; iron(2+); dihexafluorophosphate

Systemtic Name: 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one; cyclopentane; iron(2+); dihexafluorophosphate Openeye Name: diferrous; 3,3-bis(4-phenoxyphenyl)isobenzofuran-1-one; cyclopentane; dihexafluorophosphate CAS Name: 3,3-bis(4-phenoxyphenyl)-1-isobenzofuranone; cyclopentane; iron(2+); dihexafluorophosphate IUPAC Name: 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one; cyclopentane; iron(2+); dihexafluorophosphate Traditional Name: diferrous; 3,3-bis(4-phenoxyphenyl)phthalide; cyclopentane; dihexafluorophosphate Formula: C42H32F12Fe2O4P2+2 MolecularWeight: 1002.31944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)OC6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)OC6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].[Fe+2]

InChI

InChI=1S/C32H22O4.2C5H5.2F6P.2Fe/c33-31-29-13-7-8-14-30(29)32(36-31,23-15-19-27(20-16-23)34-25-9-3-1-4-10-25)24-17-21-28(22-18-24)35-26-11-5-2-6-12-26;2*1-2-4-5-3-1;2*1-7(2,3,4,5)6;;/h1-22H;2*1-5H;;;;/q;;;2*-1;2*+2