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{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
Mol Weight 722.7 g/mol
Molecular Formula C33H35N2NaO13S
Exact Mass 722.175755 g/mol
Parent InChIKey PBRAUMPRXIDLJT-UHFFFAOYSA-M
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