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CAS No.: | 85409-48-9 |
---|---|
Name: | Thymolphthalein complexone disodium salt |
Molecular Structure: | |
Formula: | C38H44N2O12.2Na |
Molecular Weight: | 764.73 |
Synonyms: | disodium N,N-[bis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene](3-oxo-1(3H)-isobenzofuranylidene)]bis[N-(carboxymethyl)aminoacetate];THYMOLPHTHALEIN COMPLEXONE DISODIUM SALT;Disodium N,N-[bis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene](3-oxo-1(3H)-isobenzofuranylidene)]bis[N-(carboxymethyl)aminoacetate] |
EINECS: | 287-117-2 |
Melting Point: | 209-211°C (dec.) |
Boiling Point: | 951.2°C at 760 mmHg |
Flash Point: | 529.1°C |
PSA: | 225.27000 |
LogP: | 3.03140 |
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This chemical is called Thymolphthalein complexone disodium salt, and it can also be named as Disodium N,N'-[bis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene](3-oxo-1(3H)-isobenzofuranylidene)]bis[N-(carboxymethyl)aminoacetate]. With the molecular formula of C38H44N2O12.2Na, its molecular weight is 764.73. The CAS registry number of this chemical is 85409-48-9.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C38H44N2O12.Na/c1-19(2)25-11-27(21(5)29(36(25)49)13-39(15-31(41)42)16-32(43)44)35(23-9-7-8-10-24(23)38(51)52)28-12-26(20(3)4)37(50)30(22(28)6)14-40(17-33(45)46)18-34(47)48;/h7-12,19-20,49H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,51,52);/q;+1/p-1/b35-28-;
2.Smiles: [Na+].CC(C)c1cc(c(C)c(c1O)CN(CC(O)=O)CC(O)=O)\C(=C1\C=C(C(C)C)C(=O)C(=C1C)CN(CC(O)=O)CC(O)=O)c1ccccc1C([O-])=O