{3H-2,1-BENZOXATHIOL-3-YLIDENEBIS[(6-HYDROXY-2,5-DIMETHYL-m-PHENYLENE)METHYLENENITRILO]}TETRAACETIC ACID, S,S-DIOXIDE, MONOSODIUM SALT

SpectraBase Compound ID	DHy2Ovh8wKv
InChI	InChI=1S/C33H36N2O13S.Na/c1-17-9-21(11-34(13-25(36)37)14-26(38)39)19(3)29(31(17)44)33(23-7-5-6-8-24(23)49(46,47)48-33)30-20(4)22(10-18(2)32(30)45)12-35(15-27(40)41)16-28(42)43;/h5-10,44-45H,11-16H2,1-4H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43);/q;+1/p-1
InChIKey	MSHQWXNHXGHHBQ-UHFFFAOYSA-M Google Search
Mol Weight	722.7 g/mol
Molecular Formula	C33H35N2NaO13S
Exact Mass	722.175755 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4tMtLfyBtYH
Name	{3H-2,1-BENZOXATHIOL-3-YLIDENEBIS[(6-HYDROXY-2,5-DIMETHYL-m-PHENYLENE)METHYLENENITRILO]}TETRAACETIC ACID, S,S-DIOXIDE, MONOSODIUM SALT
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	12454-0
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H35N2NaO13S
InChI	InChI=1S/C33H36N2O13S.Na/c1-17-9-21(11-34(13-25(36)37)14-26(38)39)19(3)29(31(17)44)33(23-7-5-6-8-24(23)49(46,47)48-33)30-20(4)22(10-18(2)32(30)45)12-35(15-27(40)41)16-28(42)43;/h5-10,44-45H,11-16H2,1-4H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43);/q;+1/p-1
InChIKey	MSHQWXNHXGHHBQ-UHFFFAOYSA-M
Molecular Weight	722.693970
Synonyms	ACETIC ACID, /3H-2,1-BENZOXATHIOL- 3-YLIDENEBIS//6-HYDROXY-2,5-DIMETHYL- M-PHENYLENE/METHYLENENITRILO//TETRA-, S,S-DIOXIDE, MONOSODIUM SALT METHYLXYLENOL BLUE
Technique	KBr WAFER