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

Systemtic Name: (9-oxidanylidenexanthen-2-yl)-diphenyl-sulfanium; 3,4,5-triphenoxy-2-phenyl-benzoate Openeye Name: (9-oxoxanthen-2-yl)-diphenyl-sulfonium; 3,4,5-triphenoxy-2-phenyl-benzoate CAS Name: (9-oxo-2-xanthenyl)-diphenylsulfonium; 3,4,5-triphenoxy-2-phenylbenzoate IUPAC Name: (9-oxoxanthen-2-yl)-diphenylsulfanium; 3,4,5-triphenoxy-2-phenylbenzoate Traditional Name: (9-ketoxanthen-2-yl)-diphenyl-sulfonium; 3,4,5-triphenoxy-2-phenyl-benzoate Formula: C56H38O7S MolecularWeight: 854.96172

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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)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=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)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O

InChI

InChI=1S/C31H22O5.C25H17O2S/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;26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-21H,(H,32,33);1-17H/q;+1/p-1