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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O7S
Molecular Weight 246.194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Sulfophthalic acid

SMILES

OC(=O)C1=C(C(O)=O)C(=CC=C1)S(O)(=O)=O

InChI

InChIKey=SDGNNLQZAPXALR-UHFFFAOYSA-N
InChI=1S/C8H6O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C8H6O7S
Molecular Weight 246.194
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 12:32:07 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:07 GMT 2023
Record UNII
VUT7659JSK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Sulfophthalic acid
Systematic Name English
1,2-Benzenedicarboxylic acid, 3-sulfo-
Systematic Name English
3-Sulfo-1,2-benzenedicarboxylic acid
Systematic Name English
Code System Code Type Description
CAS
67892-43-7
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-576-5
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY
FDA UNII
VUT7659JSK
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID2070768
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY
PUBCHEM
105970
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY