[2,6-bis(4-hydroxyphenyl)-3,5-dimethyl-4-oxidanyl-phenyl]sulfanium; methanesulfonate

Systemtic Name: [2,6-bis(4-hydroxyphenyl)-3,5-dimethyl-4-oxidanyl-phenyl]sulfanium; methanesulfonate Openeye Name: [4-hydroxy-2,6-bis(4-hydroxyphenyl)-3,5-dimethyl-phenyl]sulfonium; methanesulfonate CAS Name: [4-hydroxy-2,6-bis(4-hydroxyphenyl)-3,5-dimethylphenyl]sulfonium; methanesulfonate IUPAC Name: [4-hydroxy-2,6-bis(4-hydroxyphenyl)-3,5-dimethylphenyl]sulfanium; methanesulfonate Traditional Name: [4-hydroxy-2,6-bis(4-hydroxyphenyl)-3,5-dimethyl-phenyl]sulfonium mesylate Formula: C21H22O6S2 MolecularWeight: 434.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C)C2=CC=C(C=C2)O)[SH2+])C3=CC=C(C=C3)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C)C2=CC=C(C=C2)O)[SH2+])C3=CC=C(C=C3)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H18O3S.CH4O3S/c1-11-17(13-3-7-15(21)8-4-13)20(24)18(12(2)19(11)23)14-5-9-16(22)10-6-14;1-5(2,3)4/h3-10,21-24H,1-2H3;1H3,(H,2,3,4)