bis(9-oxidanylidenexanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenyl-benzoate

Systemtic Name: bis(9-oxidanylidenexanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenyl-benzoate Openeye Name: bis(9-oxoxanthen-2-yl)iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate CAS Name: bis(9-oxo-2-xanthenyl)iodonium; 3,4,5-triphenoxy-2-phenylbenzoate IUPAC Name: bis(9-oxoxanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenylbenzoate Traditional Name: bis(9-ketoxanthen-2-yl)iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate Formula: C57H35IO9 MolecularWeight: 990.78687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C=C2C(=O)[O-])OC3=CC=CC=C3)OC4=CC=CC=C4)OC5=CC=CC=C5.C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C=C2C(=O)[O-])OC3=CC=CC=C3)OC4=CC=CC=C4)OC5=CC=CC=C5.C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O

InChI

InChI=1S/C31H22O5.C26H14IO4/c32-31(33)26-21-27(34-23-15-7-2-8-16-23)29(35-24-17-9-3-10-18-24)30(36-25-19-11-4-12-20-25)28(26)22-13-5-1-6-14-22;28-25-17-5-1-3-7-21(17)30-23-11-9-15(13-19(23)25)27-16-10-12-24-20(14-16)26(29)18-6-2-4-8-22(18)31-24/h1-21H,(H,32,33);1-14H/q;+1/p-1