Sodium 2,2',2'',2'''-((((1,1-dioxido-3H-benzo(c)(1,2)oxathiole-3,3-diyl)bis(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetate

cas: 1945-77-3 — see every product listed under this CAS number, including other names

Sodium 2,2',2'',2'''-((((1,1-dioxido-3H-benzo(c)(1,2)oxathiole-3,3-diyl)bis(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetate (CAS 1945-77-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TargetMol.

brandTargetMol
catalog numberT65315-100mg
cas1945-77-3
size100mg
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Available pack sizes

brand size price
TargetMol 100mg 432.54 Pln

properties

purityNo data
delivery timeapprox. 33 days
Structural formula: {0} (CAS {1})

Tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate (CAS 1945-77-3) is a chemical compound with the molecular formula C37H40N2Na4O13S and a molecular weight of 844.7 g/mol. IUPAC name: tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate. InChIKey: DIZZDZCUMBBRSG-UHFFFAOYSA-J.

Identity
Molecular formulaC37H40N2Na4O13S
Molecular weight844.7 g/mol
IUPAC nametetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate
InChIKeyDIZZDZCUMBBRSG-UHFFFAOYSA-J
SMILESCC1=C(C=C(C(=C1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)[O-])CC(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)

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