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Substance Name: 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, sodium salt (1:?)
RN: 28749-63-5
InChIKey: LQKRLVLDBOCZSK-UHFFFAOYSA-M

Molecular Formula

  • C28-H31-O7-P.x-Na

Molecular Weight

  • 532.502
 
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Names and Synonyms

Synonyms

  • EINECS 249-197-7
  • Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-, mono(dihydrogen phosphate), sodium salt

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 28749-63-5

Other Registry Number

  • 40716-81-2

Related Registry Number

  • 17016-43-2 (Parent)

System Generated Number

  • 0028749635

Molecular Formulas

Molecular Formula

  • C28-H31-O7-P.x-Na

Molecular Formula Fragments

  • C28-H31-O7-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H31O7P.Na/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;+1/p-1

InChIKey

LQKRLVLDBOCZSK-UHFFFAOYSA-M

Smiles

O1[C@@](c2cc(c(O)cc2C)C(C)C)(c2cc(c(OP([O-])(=O)O)cc2C)C(C)C)c2c(cccc2)C1=O.[Na+]