U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H10Br4O5S
Molecular Weight 669.961
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,5,6-TETRABROMOPHENOLSULFONEPHTHALEIN

SMILES

OC1=CC=C(C=C1)C2(OS(=O)(=O)C3=C(Br)C(Br)=C(Br)C(Br)=C23)C4=CC=C(O)C=C4

InChI

InChIKey=ARVZQGSXIKSAAY-UHFFFAOYSA-N
InChI=1S/C19H10Br4O5S/c20-14-13-18(17(23)16(22)15(14)21)29(26,27)28-19(13,9-1-5-11(24)6-2-9)10-3-7-12(25)8-4-10/h1-8,24-25H

HIDE SMILES / InChI

Molecular Formula C19H10Br4O5S
Molecular Weight 669.961
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 Sat Dec 16 12:43:09 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:09 GMT 2023
Record UNII
Z8HQX73VP5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,5,6-TETRABROMOPHENOLSULFONEPHTHALEIN
Common Name English
NSC-624919
Code English
Benzenesulfonic acid, 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-
Systematic Name English
4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
Systematic Name English
4,4′-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[phenol]
Systematic Name English
Phenol, 4,4′-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-
Systematic Name English
2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid
Systematic Name English
Code System Code Type Description
FDA UNII
Z8HQX73VP5
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
PUBCHEM
122829
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
CAS
886365-80-6
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
ALTERNATIVE
CAS
77172-72-6
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
NSC
624919
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY