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o-Cresolphthalein Complexone

Catalog Number DYE-INT-0230
CAS Number 2411-89-4
Structure
Synonyms 3,3'-bis[n,n-di(carboxymethyl)amino-methyl]-o-cresolphthalein
IUPAC Name 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
Molecular Weight 636.61 g/mol
Molecular Formula C32H32N2O12
InChI InChI=1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChI Key IYZPEGVSBUNMBE-UHFFFAOYSA-N
Boiling Point 892.1±65.0 °C
Melting Point 181-185 °C
Purity 95%
Density 1.515 g/ml
Appearance Powder
Isomeric SMILES CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O

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