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Details

Stereochemistry ACHIRAL
Molecular Formula C54H84N2O4
Molecular Weight 825.2558
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C(=O)NC(=C3C(=O)N2)C4=CC=C(OCCCCCCCCCCCCCCCCCC)C=C4

InChI

InChIKey=XCYHXTBAQSFTGR-UHFFFAOYSA-N
InChI=1S/C54H84N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-59-47-39-35-45(36-40-47)51-49-50(54(58)55-51)52(56-53(49)57)46-37-41-48(42-38-46)60-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43-44H2,1-2H3,(H,55,58)(H,56,57)

HIDE SMILES / InChI

Molecular Formula C54H84N2O4
Molecular Weight 825.2558
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 08:35:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:35:37 GMT 2023
Record UNII
38R2Q0VL7H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-DIHYDRO-3,6-BIS(4-(OCTADECYLOXY)PHENYL)PYRROLO(3,4-C)PYRROLE-1,4-DIONE
Systematic Name English
PYRROLO(3,4-C)PYRROLE-1,4-DIONE, 2,5-DIHYDRO-3,6-BIS(4-(OCTADECYLOXY)PHENYL)-
Systematic Name English
3,6-DI-P-OCTADECYLOXYPHENYL-2,5-DIHYDRO-PYRROLO(3,4-C)PYRROLE-1,4-DIONE
Common Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 771
Created by admin on Sat Dec 16 08:35:37 GMT 2023 , Edited by admin on Sat Dec 16 08:35:37 GMT 2023
Code System Code Type Description
PUBCHEM
72941920
Created by admin on Sat Dec 16 08:35:37 GMT 2023 , Edited by admin on Sat Dec 16 08:35:37 GMT 2023
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FDA UNII
38R2Q0VL7H
Created by admin on Sat Dec 16 08:35:37 GMT 2023 , Edited by admin on Sat Dec 16 08:35:37 GMT 2023
PRIMARY
CAS
850740-37-3
Created by admin on Sat Dec 16 08:35:37 GMT 2023 , Edited by admin on Sat Dec 16 08:35:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID7074587
Created by admin on Sat Dec 16 08:35:37 GMT 2023 , Edited by admin on Sat Dec 16 08:35:37 GMT 2023
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