Thymolphthalexone sodium salt indicator for complexometry

CAS

62698-55-9

Catalog Number

ACM62698559

Category

Other Products

Molecular Weight

808.69

Molecular Formula

C₃₈H₄₀N₂Na₄O₁₂

MSDS COA Spec Sheet

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Specification

Synonyms

Thymolphthalein-2,2"-bis(methyliminodiacetic acid sodium salt); 3 inverted exclamation marka,3 inverted exclamation marka-Bis[N,N-di(carboxymethyl)aminomethyl]thymolphthalein; Thymolphthalexon; 3,3"-Bis[N,N-di(carboxymethyl)aminomethyl]thymolpht

IUPAC Name

tetrasodium 2-[[5-[1-[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate

Canonical SMILES

CC1=C(C(=C(C=C1C2(C3=CC=CC=C3C(=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

VAYRRAYILPWSLZ-UHFFFAOYSA-J

Boiling Point

886.7ºC at 760 mmHg

Flash Point

490ºC

Exact Mass

808.21700

H-Bond Acceptor

H-Bond Donor