(2-butoxyphenyl)-diphenyl-sulfanium; 3,4,5-triphenoxy-2-phenyl-benzoate

Systemtic Name: (2-butoxyphenyl)-diphenyl-sulfanium; 3,4,5-triphenoxy-2-phenyl-benzoate Openeye Name: (2-butoxyphenyl)-diphenyl-sulfonium; 3,4,5-triphenoxy-2-phenyl-benzoate CAS Name: (2-butoxyphenyl)-diphenylsulfonium; 3,4,5-triphenoxy-2-phenylbenzoate IUPAC Name: (2-butoxyphenyl)-diphenylsulfanium; 3,4,5-triphenoxy-2-phenylbenzoate Traditional Name: (2-butoxyphenyl)-diphenyl-sulfonium; 3,4,5-triphenoxy-2-phenyl-benzoate Formula: C53H44O6S MolecularWeight: 808.97786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3.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

Isomeric SMILES

CCCCOC1=CC=CC=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3.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

InChI

InChI=1S/C31H22O5.C22H23OS/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;1-2-3-18-23-21-16-10-11-17-22(21)24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h1-21H,(H,32,33);4-17H,2-3,18H2,1H3/q;+1/p-1