Thymolphthalein monophosphate

CAS Registry Number®

17016-43-2

CAS Name

Thymolphthalein monophosphate

Molecular Formula

C28H31O7P

Molecular Mass

510.52

Cite this Page

Thymolphthalein monophosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17016-43-2 (retrieved 2024-11-22) (CAS RN: 17016-43-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=JWBPMLSZYOGYFD-UHFFFAOYSA-N

SMILES

CC=1C(C2(C=3C(C(=O)O2)=CC=CC3)C4=CC(C(C)C)=C(O)C=C4C)=CC(C(C)C)=C(OP(=O)(O)O)C1

Canonical SMILES

O=C1OC(C=2C=CC=CC12)(C3=CC(=C(O)C=C3C)C(C)C)C4=CC(=C(OP(=O)(O)O)C=C4C)C(C)C

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-
  • Phenolphthalein, 5′,5′′-diisopropyl-2′,2′′-dimethyl-, mono(dihydrogen phosphate)
  • 3-[4-Hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-1(3H)-isobenzofuranone
  • Thymolphthalein monophosphate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration