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Details

Stereochemistry ACHIRAL
Molecular Formula C23H16Br4O4
Molecular Weight 675.987
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tetrabromophenolphthalein isopropyl ester

SMILES

CC(C)OC(=O)C1=C(C=CC=C1)C(C2=CC(Br)=C(O)C(Br)=C2)=C3C=C(Br)C(=O)C(Br)=C3

InChI

InChIKey=LLJOTVJDOVGQAD-UHFFFAOYSA-N
InChI=1S/C23H16Br4O4/c1-11(2)31-23(30)15-6-4-3-5-14(15)20(12-7-16(24)21(28)17(25)8-12)13-9-18(26)22(29)19(27)10-13/h3-11,28H,1-2H3

HIDE SMILES / InChI

Molecular Formula C23H16Br4O4
Molecular Weight 675.987
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:46:17 GMT 2025
Edited
by admin
on Tue Apr 01 18:46:17 GMT 2025
Record UNII
SK3NX9AZ2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tetrabromophenolphthalein isopropyl ester
Common Name English
Isopropyl 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate
Preferred Name English
Benzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, 1-methylethyl ester
Systematic Name English
NSC-90789
Code English
Code System Code Type Description
EPA CompTox
DTXSID40183008
Created by admin on Tue Apr 01 18:46:17 GMT 2025 , Edited by admin on Tue Apr 01 18:46:17 GMT 2025
PRIMARY
CAS
28818-24-8
Created by admin on Tue Apr 01 18:46:17 GMT 2025 , Edited by admin on Tue Apr 01 18:46:17 GMT 2025
PRIMARY
NSC
90789
Created by admin on Tue Apr 01 18:46:17 GMT 2025 , Edited by admin on Tue Apr 01 18:46:17 GMT 2025
PRIMARY
PUBCHEM
96870
Created by admin on Tue Apr 01 18:46:17 GMT 2025 , Edited by admin on Tue Apr 01 18:46:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
249-254-6
Created by admin on Tue Apr 01 18:46:17 GMT 2025 , Edited by admin on Tue Apr 01 18:46:17 GMT 2025
PRIMARY
FDA UNII
SK3NX9AZ2J
Created by admin on Tue Apr 01 18:46:17 GMT 2025 , Edited by admin on Tue Apr 01 18:46:17 GMT 2025
PRIMARY