CAS
108717-10-8 Purity
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108717-10-8 Purity
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Methylthymol blue
CAS
108722-19-6
Catalog Number
ACM108722196
Category
Other Products
Molecular Weight
756.83
Molecular Formula
C37H44N2O13S·xNa
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Specification
Synonyms
Methylthymol blue,sodium salt,indicator grade; Methylthymol blue;
IUPAC Name
tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate
Canonical SMILES
CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C(C)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI Key
DIZZDZCUMBBRSG-UHFFFAOYSA-J
EC Number
217-743-3
Exact Mass
844.18400
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