Xylenol Orange tetrasodium salt

tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate

Also Known As: Xylenol Orange tetrasodium salt|Xylenol orange|OMNIPUR-EDM|Xylenol Orange tetrasodium|Xylenol Orange monosodium salt|Xylenol orange, tetrasodium salt|7844AH|Xylenol orange tetrasodium salt, IND|XYLENE ORANGE TETRASODIUM SALT|O-CRESOLPHTHALEXON-S TETRASODIUM SALT|XYLENOL ORANGE TETRASODIUM SALT [MI]|Xylenol Orange tetrasodium salt, ACS reagent|Xylenol Orange tetrasodium salt, Dye content 90 %|Xylenol Orange tetrasodium salt, p.a., ACS reagent|I14-18874|3,3-Bis[3-[[bis(sodiooxycarbonylmethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3H-2,1-benzooxathiole 1,1-dioxide|Xylenol Orange tetrasodium salt, 0.1% w/v aqueous solution|N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine tetrasodium salt|Tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate|3,3'-bis[N,N-di(Carboxymethyl) aminomethyl]-o-cresolsulfonephthaleine sodium salt|3,3'-bis[N,N-di(Carboxymethyl) aminomethyl]-o-cresolsulfonephthaleine, sodium salt|2,2',2'',2'''-((((1,1-Dioxido-3H-benzo[c][1,2]oxathiole-3,3-diyl)bis(6-hydroxy-5-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetic acid, sodium salt (1:4)|3H-2,1-Benzoxathiole, Glycine deriv.; OmniPur-EDM; Xylene Orange Tetrasodium Salt; Xylenol Orange Tetrasodium Salt; o-Cresolphthalexon-S Tetrasodium Salt; N,N'-[(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-glycine Tetrasodium Salt; N,N'-[3H-2,1-Benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-glycine S,S-Dioxide Tetrasodium Salt; [3H-2,1-Benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-acetic Acid S,S-Dioxide Tetrasodium Salt|ACETIC ACID, (3H-2,1-BENZOXATHIOL-3-YLIDENEBIS((6-HYDROXY-5-METHYL-M-PHENYLENE)METHYLENENITRILO))TETRA-, S,S-DIOXIDE, TETRASODIUM SALT|Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt|Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide, tetrasodium salt|Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:1)|IND|tetrapotassium 2-[({5-[3-(3-{[bis(carboxylatomethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxylatomethyl)amino]acetate|tetrasodium 2-[({5-[3-(3-{[bis(carboxylatomethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1??-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxylatomethyl)amino]acetate|tetrasodium 2-[[5-[3-[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1|tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxylatomethyl)amino]acetate

Molecular Formula	C31H28N2Na4O13S
Molecular Weight	760.0903 g/mol
LogP	-15.65496
Topological Polar Surface Area	250.83 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	15
Rotatable Bonds	14
Exact Mass	760.0903
Monoisotopic Mass	760.0903
Heavy Atoms	51
Complexity	1767.7292

Chemical Identifiers

CAS Number	313223-06-2
SMILES	CC1=CC(=CC(=C1O)CN(CC(=O)[O-])CC(=O)[O-])C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]