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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O8S2
Molecular Weight 424.405
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dimethyl 4,4'-dithiobis(3-nitrobenzoate)

SMILES

COC(=O)C1=CC(=C(SSC2=CC=C(C=C2[N+]([O-])=O)C(=O)OC)C=C1)[N+]([O-])=O

InChI

InChIKey=UYYXQLZKGJWXIQ-UHFFFAOYSA-N
InChI=1S/C16H12N2O8S2/c1-25-15(19)9-3-5-13(11(7-9)17(21)22)27-28-14-6-4-10(16(20)26-2)8-12(14)18(23)24/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H12N2O8S2
Molecular Weight 424.405
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 20:03:52 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:52 GMT 2025
Record UNII
Y22X4RGQ55
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-158411
Preferred Name English
Dimethyl 4,4'-dithiobis(3-nitrobenzoate)
Systematic Name English
1,1?-Dimethyl 4,4?-dithiobis[3-nitrobenzoate]
Systematic Name English
Benzoic acid, 4,4?-dithiobis[3-nitro-, 1,1?-dimethyl ester
Systematic Name English
4,4?-dithiobis[3-nitrobenzoic acid] dimethyl ester
Systematic Name English
Code System Code Type Description
NSC
158411
Created by admin on Tue Apr 01 20:03:52 GMT 2025 , Edited by admin on Tue Apr 01 20:03:52 GMT 2025
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FDA UNII
Y22X4RGQ55
Created by admin on Tue Apr 01 20:03:52 GMT 2025 , Edited by admin on Tue Apr 01 20:03:52 GMT 2025
PRIMARY
PUBCHEM
292580
Created by admin on Tue Apr 01 20:03:52 GMT 2025 , Edited by admin on Tue Apr 01 20:03:52 GMT 2025
PRIMARY
CAS
35350-37-9
Created by admin on Tue Apr 01 20:03:52 GMT 2025 , Edited by admin on Tue Apr 01 20:03:52 GMT 2025
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EPA CompTox
DTXSID90188841
Created by admin on Tue Apr 01 20:03:52 GMT 2025 , Edited by admin on Tue Apr 01 20:03:52 GMT 2025
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