Products 85563-15-1

CAS 85563-15-1 is the registry number for 4,5,6,7-tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid, ≥95%. Offered by: Chemat. Available pack sizes: 50mg.

Structural formula: {0} (CAS {1})

2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]phenyl]methyl]amino]acetic acid (CAS 85563-15-1) is a chemical compound with the molecular formula C27H21Br4NO8 and a molecular weight of 807.1 g/mol. IUPAC name: 2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]phenyl]methyl]amino]acetic acid. InChIKey: FUUVMYKRXAJJQG-UHFFFAOYSA-N.

Identity
Molecular formulaC27H21Br4NO8
Molecular weight807.1 g/mol
IUPAC name2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]phenyl]methyl]amino]acetic acid
InChIKeyFUUVMYKRXAJJQG-UHFFFAOYSA-N
SMILESCC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)C

Computed by PubChem (NCBI)