Products 1945-77-3

CAS 1945-77-3 appears in our catalog under these names: Methylthymol blue sodium salt, 91%, Methylthymol Blue Sodium Salt, Methylthymol Blue Sodium Salt (Technical Grade), Methylthymol blue, Methylthymol blue (tetrasodium). Offered by: Combi-blocks, TRC, Chemat, GLPBio, TargetMol. Available pack sizes: 5g, 100g, 25g, 10g, 1g, 100mg, 50g, 250g.

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)