2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]acetic acid



Compound number:
MolPort-004-947-274
CAS number: 2411-89-4
IUPAC:
2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]acetic acid
IUPAC traditional:
[({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
SMILES:
Cc1cc(cc(CN(CC(O)=O)CC(O)=O)c1O)C1(OC(=O)c2ccccc12)c1cc(C)c(O)c(CN(CC(O)=O)CC(O)=O)c1
InChI key:
IYZPEGVSBUNMBE-UHFFFAOYSA-N
Molecular formula:
C32H32N2O12
Molecular weight: 636.61
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-004-947-274
CAS number: 2411-89-4

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004261832
MFCD00005911
2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo hydroisobenzofuranyl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]ace tic acid
2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid 2-[[5-[1-[3-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
"Cresolphthalein-bismethyliminodiacetic Acid, Metal Phthalein, Phthalein Purple Metal Phthalein Phthalein Purple"
Glycine,N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
O-Cresolphthalein complexone

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

Calculated Properties
Molecular formula: C32H32N2O12
Molecular weight: 636.61

Scaffolds

Other

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