Phenolphthalein complexon

tetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxylatomethyl)amino]acetate

Also Known As: Phenolphthalein complexon|phenolphthalein complexone|Phenolphthalexon tetrasodium|Phenolphthalein complexon tetrasodium|6926AF|Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)|Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt|Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, tetrasodium salt|tetrasodium 2,2',2'',2'''-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-3,1-phenylene)methylenenitrilo]}tetraacetate|Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4)|3',3''-BIS(N,N-BIS(CARBOXYMETHYL)AMINOMETHYL)PHENOLPHTHALEIN TETRASODIUM SALT|tetrasodium 2-[[5-[1-[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate

Molecular Formula	C30H24N2Na4O12
Molecular Weight	696.092 g/mol
LogP	-15.82
Topological Polar Surface Area	233.76 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	14
Rotatable Bonds	14
Exact Mass	696.092
Heavy Atoms	48
Complexity	1536.3

Chemical Identifiers

CAS Number	62698-58-2
SMILES	C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)[O-])CC(=O)[O-])C4=CC(=C(C=C4)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]