U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H4Cl5NO2S2
Molecular Weight 411.539
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4,4-PENTACHLOROBUTADIENYL 2-NITROPHENYL DISULFIDE

SMILES

[O-][N+](=O)C1=CC=CC=C1SS\C(Cl)=C(/Cl)C(Cl)=C(Cl)Cl

InChI

InChIKey=KOZUZBMNALPHSO-NTMALXAHSA-N
InChI=1S/C10H4Cl5NO2S2/c11-7(9(13)14)8(12)10(15)20-19-6-4-2-1-3-5(6)16(17)18/h1-4H/b10-8-

HIDE SMILES / InChI

Approval Year

Name Type Language
1,2,3,4,4-PENTACHLOROBUTADIENYL 2-NITROPHENYL DISULFIDE
Systematic Name English
DISULFIDE, 2-NITROPHENYL 1,2,3,4,4-PENTACHLORO-1,3-BUTADIENYL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501030231
Created by admin on Sat Dec 16 09:12:30 GMT 2023 , Edited by admin on Sat Dec 16 09:12:30 GMT 2023
PRIMARY
FDA UNII
3RQ32CX929
Created by admin on Sat Dec 16 09:12:30 GMT 2023 , Edited by admin on Sat Dec 16 09:12:30 GMT 2023
PRIMARY
PUBCHEM
3036482
Created by admin on Sat Dec 16 09:12:30 GMT 2023 , Edited by admin on Sat Dec 16 09:12:30 GMT 2023
PRIMARY
CAS
117760-95-9
Created by admin on Sat Dec 16 09:12:30 GMT 2023 , Edited by admin on Sat Dec 16 09:12:30 GMT 2023
PRIMARY