Product Information
Chemical Formula: | C38H44N2O12 |
---|---|
Molecular Weight: | 720.77 |
Synonyms: | 3',3''-Bis[N,N-di(carboxymethyl)aminomethyl]thymolphthalein; Thymolphthalexone |
MDL No.: | MFCD00001619 |
EINECS / EC No.: | 217-627-2 |
Pubchem CID: | 112918 |
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 |
Standard 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 |
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 |
Appearance: | Off-white powder |
Melting Point (°C): | 191 |
Boiling Point: | 886.7°C at760mmHg |
Density (Theoretical): | 1.385 g/cm3 |
Solubility: | N/A |
Refractive Index: | N/A |
Safety Information
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