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Details

Stereochemistry ACHIRAL
Molecular Formula C42H60N2O6S2
Molecular Weight 753.066
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-BIS-(3-(DODECYLSULFONYL)PHENYL)-2,5-DIHYDROPYRROLO(3,4-C)PYRROLE-1,4-DIONE

SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=CC=C1)C2=C3C(=O)NC(=C3C(=O)N2)C4=CC=CC(=C4)S(=O)(=O)CCCCCCCCCCCC

InChI

InChIKey=MWSOKXYCUANAAM-UHFFFAOYSA-N
InChI=1S/C42H60N2O6S2/c1-3-5-7-9-11-13-15-17-19-21-29-51(47,48)35-27-23-25-33(31-35)39-37-38(42(46)43-39)40(44-41(37)45)34-26-24-28-36(32-34)52(49,50)30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-32H,3-22,29-30H2,1-2H3,(H,43,46)(H,44,45)

HIDE SMILES / InChI

Molecular Formula C42H60N2O6S2
Molecular Weight 753.066
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 05:42:07 GMT 2023
Edited
by admin
on Sat Dec 16 05:42:07 GMT 2023
Record UNII
74421065XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6-BIS-(3-(DODECYLSULFONYL)PHENYL)-2,5-DIHYDROPYRROLO(3,4-C)PYRROLE-1,4-DIONE
Systematic Name English
PYRROLO(3,4-C)PYRROLE-1,4-DIONE, 3,6-BIS-(3-(DODECYLSULFONYL)PHENYL)-2,5-DIHYDRO-
Systematic Name English
3,6-BIS(3-(DODECYLSULFONYL)PHENYL)-2,5-DIHYDROPYRROLO(3,4-C)PYRROLE-1,4-DIONE
Systematic Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 656
Created by admin on Sat Dec 16 05:42:07 GMT 2023 , Edited by admin on Sat Dec 16 05:42:07 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID20237073
Created by admin on Sat Dec 16 05:42:07 GMT 2023 , Edited by admin on Sat Dec 16 05:42:07 GMT 2023
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PUBCHEM
71587845
Created by admin on Sat Dec 16 05:42:07 GMT 2023 , Edited by admin on Sat Dec 16 05:42:07 GMT 2023
PRIMARY
CAS
884862-07-1
Created by admin on Sat Dec 16 05:42:07 GMT 2023 , Edited by admin on Sat Dec 16 05:42:07 GMT 2023
PRIMARY
FDA UNII
74421065XQ
Created by admin on Sat Dec 16 05:42:07 GMT 2023 , Edited by admin on Sat Dec 16 05:42:07 GMT 2023
PRIMARY