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

Systemtic Name: (9-sulfanylidenexanthen-2-yl)sulfanium; 3,4,5-triphenoxy-2-phenyl-benzoate Openeye Name: (9-thioxoxanthen-2-yl)sulfonium; 3,4,5-triphenoxy-2-phenyl-benzoate CAS Name: (9-sulfanylidene-2-xanthenyl)sulfonium; 3,4,5-triphenoxy-2-phenylbenzoate IUPAC Name: (9-sulfanylidenexanthen-2-yl)sulfanium; 3,4,5-triphenoxy-2-phenylbenzoate Traditional Name: (9-thioxoxanthen-2-yl)sulfonium; 3,4,5-triphenoxy-2-phenyl-benzoate Formula: C44H30O6S2 MolecularWeight: 718.8354

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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(=S)C3=C(O2)C=CC(=C3)[SH2+]

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(=S)C3=C(O2)C=CC(=C3)[SH2+]

InChI

InChI=1S/C31H22O5.C13H8OS2/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;15-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)14-12/h1-21H,(H,32,33);1-7,15H