bis(4-hydroxyphenyl)-phenyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: bis(4-hydroxyphenyl)-phenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: bis(4-hydroxyphenyl)-phenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: bis(4-hydroxyphenyl)-phenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: bis(4-hydroxyphenyl)-phenylsulfanium; 4-methylbenzenesulfonate Traditional Name: bis(4-hydroxyphenyl)-phenyl-sulfonium tosylate Formula: C25H22O5S2 MolecularWeight: 466.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H14O2S.C7H8O3S/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-13H,(H-,19,20);2-5H,1H3,(H,8,9,10)