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Substance Name: Thymolphthalein phosphate, disodium salt
RN: 62796-27-4
InChIKey: SQUIXVJVXGLUIW-UHFFFAOYSA-L

Molecular Formula

  • C28-H31-O7-P.2Na

Molecular Weight

  • 554.484
 
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Names and Synonyms

Results Name

  • Thymolphthalein phosphate, disodium salt

Synonyms

  • EINECS 263-733-7
  • Thymolphthalein monophosphate, disodium salt
  • Thymolphthalein phosphate, disodium salt

Systematic Names

  • 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, disodium salt
  • 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, sodium salt (1:2)
  • Disodium 4-(3-(4-hydroxy-5-isopropyl-o-tolyl)-1-oxo-3H-isobenzofuran-3-yl)-6-isopropyl-m-tolyl phosphate

Registry Numbers

CAS Registry Number

  • 62796-27-4

Other Registry Numbers

  • 1189459-07-1
  • 84176-64-7

Related Registry Number

  • 17016-43-2 (Parent)

System Generated Number

  • 0062796274

Molecular Formulas

Molecular Formula

  • C28-H31-O7-P.2Na

Molecular Formula Fragments

  • C28-H31-O7-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H31O7P.2Na/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;;/h7-16,29H,1-6H3,(H2,31,32,33);;/q;2*+1/p-2

InChIKey

SQUIXVJVXGLUIW-UHFFFAOYSA-L

Smiles

c12C(=O)O[C@@](c3c(C)cc(O)c(C(C)C)c3)(c3c(C)cc(OP([O-])([O-])=O)c(C(C)C)c3)c1cccc2.[Na+].[Na+]