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

Systemtic Name: (9-oxidanylidenexanthen-2-yl)-phenyl-iodanium; 3,4,5-triphenoxy-2-phenyl-benzoate Openeye Name: (9-oxoxanthen-2-yl)-phenyl-iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate CAS Name: (9-oxo-2-xanthenyl)-phenyliodonium; 3,4,5-triphenoxy-2-phenylbenzoate IUPAC Name: (9-oxoxanthen-2-yl)-phenyliodanium; 3,4,5-triphenoxy-2-phenylbenzoate Traditional Name: (9-ketoxanthen-2-yl)-phenyl-iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate Formula: C50H33IO7 MolecularWeight: 872.69729

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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=C(C=C1)[I+]C2=CC3=C(C=C2)OC4=CC=CC=C4C3=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=C(C=C1)[I+]C2=CC3=C(C=C2)OC4=CC=CC=C4C3=O

InChI

InChI=1S/C31H22O5.C19H12IO2/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;21-19-15-8-4-5-9-17(15)22-18-11-10-14(12-16(18)19)20-13-6-2-1-3-7-13/h1-21H,(H,32,33);1-12H/q;+1/p-1