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Details

Stereochemistry ACHIRAL
Molecular Formula C42H54N6O6
Molecular Weight 738.9148
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS(2-ETHYLHEXYL) 4,4'-(6-(4-(ETHOXYCARBONYL)PHENYLAMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(AZANEDIYL)DIBENZOATE

SMILES

CCCCC(CC)COC(=O)C1=CC=C(NC2=NC(NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)=NC(NC4=CC=C(C=C4)C(=O)OCC)=N2)C=C1

InChI

InChIKey=MVRITZJPGWAQAW-UHFFFAOYSA-N
InChI=1S/C42H54N6O6/c1-6-11-13-29(8-3)27-53-38(50)32-17-23-35(24-18-32)44-41-46-40(43-34-21-15-31(16-22-34)37(49)52-10-5)47-42(48-41)45-36-25-19-33(20-26-36)39(51)54-28-30(9-4)14-12-7-2/h15-26,29-30H,6-14,27-28H2,1-5H3,(H3,43,44,45,46,47,48)

HIDE SMILES / InChI

Molecular Formula C42H54N6O6
Molecular Weight 738.9148
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:05:24 UTC 2023
Edited
by admin
on Sat Dec 16 19:05:24 UTC 2023
Record UNII
U3LH3ER7ES
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(2-ETHYLHEXYL) 4,4'-(6-(4-(ETHOXYCARBONYL)PHENYLAMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(AZANEDIYL)DIBENZOATE
Systematic Name English
ETHYLHEXYL TRIAZONE RELATED COMPOUND C [USP-RS]
Common Name English
ETHYLHEXYL TRIAZONE RELATED COMPOUND C [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1265560
Created by admin on Sat Dec 16 19:05:24 UTC 2023 , Edited by admin on Sat Dec 16 19:05:24 UTC 2023
PRIMARY
FDA UNII
U3LH3ER7ES
Created by admin on Sat Dec 16 19:05:24 UTC 2023 , Edited by admin on Sat Dec 16 19:05:24 UTC 2023
PRIMARY
PUBCHEM
154925707
Created by admin on Sat Dec 16 19:05:24 UTC 2023 , Edited by admin on Sat Dec 16 19:05:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY