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Substance Name: Thymolphthalein monophosphate, magnesium salt
RN: 10496-54-5
InChIKey: KECMCOBQXBUHIH-UHFFFAOYSA-L

Molecular Formula

  • C28-H31-O7-P.Mg

Molecular Weight

  • 532.809
 
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Names and Synonyms

Results Name

  • Thymolphthalein monophosphate, magnesium salt

Synonyms

  • EINECS 234-026-0
  • Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-, dihydrogen phosphate, magnesium salt (1:1)
  • Thymolphthalein monophosphate, magnesium salt

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 10496-54-5

Other Registry Numbers

  • 1015939-04-4
  • 51920-13-9

Related Registry Number

  • 17016-43-2 (Parent)

System Generated Number

  • 0010496545

Molecular Formulas

Molecular Formula

  • C28-H31-O7-P.Mg

Molecular Formula Fragments

  • C28-H31-O7-P
  • COMPONENT
  • Mg

Structure Descriptors

InChI

1S/C28H31O7P.Mg/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/p-2

InChIKey

KECMCOBQXBUHIH-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.[Mg+2]