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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5Cl2NO5S
Molecular Weight 286.089
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DICHLORO-4-METHYL-2-NITROBENZENESULFONIC ACID

SMILES

CC1=C(Cl)C=C(C(=C1Cl)[N+]([O-])=O)S(O)(=O)=O

InChI

InChIKey=ABQUUVRUHRHFHR-UHFFFAOYSA-N
InChI=1S/C7H5Cl2NO5S/c1-3-4(8)2-5(16(13,14)15)7(6(3)9)10(11)12/h2H,1H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C7H5Cl2NO5S
Molecular Weight 286.089
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 19:01:36 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:36 GMT 2023
Record UNII
RPQ5BW6MPZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DICHLORO-4-METHYL-2-NITROBENZENESULFONIC ACID
Systematic Name English
BENZENESULPHONIC ACID, 3,5-DICHLORO-4-METHYL-2-NITRO-
Common Name English
BENZENESULFONIC ACID, 3,5-DICHLORO-4-METHYL-2-NITRO-
Systematic Name English
2,6-DICHLORO-3-NITROTOLUENE-4-SULFONIC ACID
Systematic Name English
3,5-DICHLORO-4-METHYL-2-NITROBENZENESULPHONIC ACID
Systematic Name English
2,6-DICHLORO-3-NITROTOLUENE-4-SULPHONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
110080
Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023
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FDA UNII
RPQ5BW6MPZ
Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023
PRIMARY
CAS
68368-40-1
Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-871-4
Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID6071451
Created by admin on Sat Dec 16 19:01:36 GMT 2023 , Edited by admin on Sat Dec 16 19:01:36 GMT 2023
PRIMARY