Thymolphthalexon

CAS Registry Number®

1913-93-5

CAS Name

Thymolphthalexon

Molecular Formula

C38H44N2O12

Molecular Mass

720.76

Cite this Page

Thymolphthalexon.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1913-93-5 (retrieved 2024-11-24) (CAS RN: 1913-93-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)

InChIKey

InChIKey=AGXCADFSYJNMEG-UHFFFAOYSA-N

SMILES

CC1=C(C2(C=3C(C(=O)O2)=CC=CC3)C4=C(C)C(CN(CC(O)=O)CC(O)=O)=C(O)C(C(C)C)=C4)C=C(C(C)C)C(O)=C1CN(CC(O)=O)CC(O)=O

Canonical SMILES

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

Other Names for this Substance

  • Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-
  • Phenolphthalein, 3′,3′′-bis[[bis(carboxymethyl)amino]methyl]-5′,5′′-diisopropyl-2′,2′′-dimethyl-
  • N,N′-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)glycine]
  • Thymolphthalexon
  • Thymolphthalein complexon

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