o-Cresolphthalein Complexone

Product Specifications

CAS Number

2411-89-4

Synonyms

3',3''-Bis[[bis(carboxymethyl)amino]methyl]-5',5''-dimethyl-phenolphthalein;N,N'-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine];3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolphthalein;3,3'-Bis[N,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein;

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

O=C(O)CN(CC(=O)O)CC=1C=C(C=C(C1O)C)C2(OC(=O)C=3C=CC=CC32)C=4C=C(C(O)=C(C4)CN(CC(=O)O)CC(=O)O)C

Molecular Formula

C32 H32 N2 O12

Molecular Weight

636.6

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)

Additionnal Information

IUPAC name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid