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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O6S2
Molecular Weight 252.265
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-1,3-BENZENEDISULFONIC ACID

SMILES

CC1=C(C=C(C=C1)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=LTYBYSFEGHYUDB-UHFFFAOYSA-N
InChI=1S/C7H8O6S2/c1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C7H8O6S2
Molecular Weight 252.265
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 17:37:06 GMT 2025
Edited
by admin
on Tue Apr 01 17:37:06 GMT 2025
Record UNII
E463GM9TD8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BENZENEDISULFONIC ACID, 4-METHYL-
Preferred Name English
4-METHYL-1,3-BENZENEDISULFONIC ACID
Systematic Name English
1,3-BENZENEDISULPHONIC ACID, 4-METHYL-
Systematic Name English
4-METHYLBENZENE-1,3-DISULPHONIC ACID
Systematic Name English
4-METHYLBENZENE-1,3-DISULFONIC ACID
Systematic Name English
TOLUENE-2,4-DISULFONIC ACID
Systematic Name English
4-METHYL-1,3-BENZENEDISULPHONIC ACID
Systematic Name English
TOLUENE-2,4-DISULPHONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
E463GM9TD8
Created by admin on Tue Apr 01 17:37:06 GMT 2025 , Edited by admin on Tue Apr 01 17:37:06 GMT 2025
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CAS
121-04-0
Created by admin on Tue Apr 01 17:37:06 GMT 2025 , Edited by admin on Tue Apr 01 17:37:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-446-9
Created by admin on Tue Apr 01 17:37:06 GMT 2025 , Edited by admin on Tue Apr 01 17:37:06 GMT 2025
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EPA CompTox
DTXSID7059517
Created by admin on Tue Apr 01 17:37:06 GMT 2025 , Edited by admin on Tue Apr 01 17:37:06 GMT 2025
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PUBCHEM
67129
Created by admin on Tue Apr 01 17:37:06 GMT 2025 , Edited by admin on Tue Apr 01 17:37:06 GMT 2025
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