(2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenyl-benzoate

Systemtic Name: (2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenyl-benzoate Openeye Name: (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate CAS Name: (2-oxo-1-benzopyran-7-yl)-(9-oxo-2-xanthenyl)iodonium; 3,4,5-triphenoxy-2-phenylbenzoate IUPAC Name: (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodanium; 3,4,5-triphenoxy-2-phenylbenzoate Traditional Name: (2-ketochromen-7-yl)-(9-ketoxanthen-2-yl)iodonium; 3,4,5-triphenoxy-2-phenyl-benzoate Formula: C53H33IO9 MolecularWeight: 940.72819

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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)C=CC(=O)O5

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)C=CC(=O)O5

InChI

InChI=1S/C31H22O5.C22H12IO4/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;24-21-10-6-13-5-7-15(12-20(13)27-21)23-14-8-9-19-17(11-14)22(25)16-3-1-2-4-18(16)26-19/h1-21H,(H,32,33);1-12H/q;+1/p-1