产品名称

英文名称：Thymolphthalein complexon

同义词

Thymolphthalexone、1913-93-5、Thymolphthalexon、2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid、starbld0009679、SCHEM、百里酚酞络合酮

产品性质

CAS编号：1913-93-5

分子式：C38H44N2O12

分子量：720.78

EC号：217-627-2

MDL号：MFCD00001619

PubChem编号：112918

别名：百里酚酞络合酮

英文别名：Thymolphthalexone|1913-93-5|Thymolphthalexon|2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid|starbld0009679|SCHEM

英文名称：Thymolphthalein complexon

应用：络合指示剂，用于测定钙、锶和钡

运输条件：常规运输

产品介绍：络合指示剂，用于测定钙、锶和钡Complexometry indicator. For determination of Ca, Sr and Ba

IUPAC Name：2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid

INCHI：InChI=1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)

InChi Key：AGXCADFSYJNMEG-UHFFFAOYSA-N

Canonical SMILES：CC1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)O)CC(=O)O)C

Isomeric SMILES：CC1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)O)CC(=O)O)C

PubChem CID：112918

Reaxy-Rn：1339087

熔点：255 °C

产品包装