Tetrabromophenolphthalein isopropyl ester

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

Approval Year

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

SUBSTANCE RECORD


					SK3NX9AZ2J

Tetrabromophenolphthalein isopropyl ester