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

Systemtic Name: (9-oxidanylidenexanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenyl-benzoate Openeye Name: (9-oxoxanthen-2-yl)iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate CAS Name: (9-oxo-2-xanthenyl)iodonium; 3,4,5-triphenoxy-2-phenylbenzoate IUPAC Name: (9-oxoxanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenylbenzoate Traditional Name: (9-ketoxanthen-2-yl)iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate Formula: C44H29IO7 MolecularWeight: 796.60133

Click to see the large picture

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)[IH+]

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)[IH+]

InChI

InChI=1S/C31H22O5.C13H8IO2/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;14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-21H,(H,32,33);1-7,14H/q;+1/p-1