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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N5O8S
Molecular Weight 479.464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-[[4-[(3,5-Dinitro-2-thienyl)azo]-3-methylphenyl]imino]bisethyl diacetate

SMILES

CC(=O)OCCN(CCOC(C)=O)C1=CC(C)=C(C=C1)\N=N\C2=C(C=C(S2)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=MSZSVSAHVAQWOK-QZQOTICOSA-N
InChI=1S/C19H21N5O8S/c1-12-10-15(22(6-8-31-13(2)25)7-9-32-14(3)26)4-5-16(12)20-21-19-17(23(27)28)11-18(33-19)24(29)30/h4-5,10-11H,6-9H2,1-3H3/b21-20+

HIDE SMILES / InChI

Approval Year

Name Type Language
2,2'-[[4-[(3,5-Dinitro-2-thienyl)azo]-3-methylphenyl]imino]bisethyl diacetate
Systematic Name English
Ethanol, 2,2′-[[4-[(3,5-dinitro-2-thienyl)azo]-3-methylphenyl]imino]bis-, diacetate (ester)
Common Name English
Ethanol, 2,2′-[[4-[2-(3,5-dinitro-2-thienyl)diazenyl]-3-methylphenyl]imino]bis-, 1,1′-diacetate
Systematic Name English
Code System Code Type Description
FDA UNII
99ZV8T8BLH
Created by admin on Sat Dec 16 11:48:46 GMT 2023 , Edited by admin on Sat Dec 16 11:48:46 GMT 2023
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CAS
68110-29-2
Created by admin on Sat Dec 16 11:48:46 GMT 2023 , Edited by admin on Sat Dec 16 11:48:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID7071105
Created by admin on Sat Dec 16 11:48:46 GMT 2023 , Edited by admin on Sat Dec 16 11:48:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
268-518-1
Created by admin on Sat Dec 16 11:48:46 GMT 2023 , Edited by admin on Sat Dec 16 11:48:46 GMT 2023
PRIMARY