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Details

Stereochemistry ACHIRAL
Molecular Formula C20H8I4O4.2Na
Molecular Weight 865.8725
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENTETIOTHALEIN SODIUM

SMILES

[Na+].[Na+].[O-]C(=O)C1=C(I)C(I)=C(I)C(I)=C1C(C2=CC=C([O-])C=C2)=C3C=CC(=O)C=C3

InChI

InChIKey=LTJJPORGAUSQGH-UHFFFAOYSA-L
InChI=1S/C20H10I4O4.2Na/c21-16-14(15(20(27)28)17(22)19(24)18(16)23)13(9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10;;/h1-8,25H,(H,27,28);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H8I4O4
Molecular Weight 819.893
Charge -2
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 Mon Mar 31 21:06:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:06:23 GMT 2025
Record UNII
84W3O7MS6Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISO-IODEIKON
Preferred Name English
PHENTETIOTHALEIN SODIUM
MI  
Common Name English
PHENOLTETRAIODOPHTHALEIN SODIUM
Common Name English
3,3-BIS(4-HYDROXYPHENYL)-4,5,6,7-TETRAIODO-1(3H)-ISOBENZOFURANONE SODIUM SALT (1:2)
Common Name English
PHENTETIOTHALEIN SODIUM [MI]
Common Name English
Code System Code Type Description
FDA UNII
84W3O7MS6Q
Created by admin on Mon Mar 31 21:06:23 GMT 2025 , Edited by admin on Mon Mar 31 21:06:23 GMT 2025
PRIMARY
MERCK INDEX
m8645
Created by admin on Mon Mar 31 21:06:23 GMT 2025 , Edited by admin on Mon Mar 31 21:06:23 GMT 2025
PRIMARY Merck Index
PUBCHEM
20054996
Created by admin on Mon Mar 31 21:06:23 GMT 2025 , Edited by admin on Mon Mar 31 21:06:23 GMT 2025
PRIMARY
CAS
18265-54-8
Created by admin on Mon Mar 31 21:06:23 GMT 2025 , Edited by admin on Mon Mar 31 21:06:23 GMT 2025
PRIMARY