4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid

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

Also Known As: BP-Ida|4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid|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|2,2'-[[2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl]benzyl]azanediyl]diacetic Acid|Glycine, N-(carboxymethyl)-N-((2-hydroxy-3-methyl-5-(4,5,6,7-tetrabromo-1,3-dihydro-1-(4-hydroxy-3-methylphenyl)-3-oxo-1-isobenzofuranyl)phenyl)methyl)-|2,2 inverted exclamation mark -[[2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl]benzyl]azanediyl]diacetic Acid|2,2'-[({2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl}methyl)azanediyl]diacetic acid

Molecular Formula	C27H21Br4NO8
Molecular Weight	802.80005 g/mol
LogP	4.1
Topological Polar Surface Area	145.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	802.80005
Monoisotopic Mass	802.80005
Heavy Atoms	40
Complexity	959.0

Chemical Identifiers

CAS Number	85563-15-1
SMILES	CC1=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
InChIKey	FUUVMYKRXAJJQG-UHFFFAOYSA-N