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Substance Name: Thymolphthalein monophosphate
RN: 17016-43-2
InChIKey: JWBPMLSZYOGYFD-UHFFFAOYSA-N

Molecular Formula

  • C28-H31-O7-P

Molecular Weight

  • 510.52
 
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Names and Synonyms

Name of Substance

  • Thymolphthalein monophosphate

Synonyms

  • EINECS 241-090-3
  • Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-, mono(dihydrogen phosphate)

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 17016-43-2

Related Registry Numbers

  • 10496-54-5 (mono-magnesium salt)
  • 28749-63-5 (unspecified hydrochloride salt)
  • 62796-27-4 (di-hydrochloride salt)
  • 67953-09-7 (magnesium-hydrochloride[2:1:4] salt)
  • 68991-94-6 (unspecified magnesium salt)

System Generated Number

  • 0017016432

Structure Descriptors

InChI

1S/C28H31O7P/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)

InChIKey

JWBPMLSZYOGYFD-UHFFFAOYSA-N

Smiles

O=P(Oc1c(cc(c(C)c1)[C@@]1(OC(=O)c2ccccc12)c1c(cc(O)c(C(C)C)c1)C)C(C)C)(O)O