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

Details

Stereochemistry RACEMIC
Molecular Formula C45H63N3O6
Molecular Weight 741.9982
Optical Activity ( + / - )
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',2''-(1,3,5-TRIAZINE-2,4,6-TRIYL)TRIS(5-((2-ETHYLHEXYL)OXY)PHENOL)

SMILES

CCCCC(CC)COC1=CC(O)=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(OCC(CC)CCCC)C=C3O)C4=C(O)C=C(OCC(CC)CCCC)C=C4

InChI

InChIKey=ATHOWRXAIRUJLS-UHFFFAOYSA-N
InChI=1S/C45H63N3O6/c1-7-13-16-31(10-4)28-52-34-19-22-37(40(49)25-34)43-46-44(38-23-20-35(26-41(38)50)53-29-32(11-5)17-14-8-2)48-45(47-43)39-24-21-36(27-42(39)51)54-30-33(12-6)18-15-9-3/h19-27,31-33,49-51H,7-18,28-30H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C45H63N3O6
Molecular Weight 741.9982
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:15:43 GMT 2023
Edited
by admin
on Sat Dec 16 11:15:43 GMT 2023
Record UNII
C5U25UE3YR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',2''-(1,3,5-TRIAZINE-2,4,6-TRIYL)TRIS(5-((2-ETHYLHEXYL)OXY)PHENOL)
Systematic Name English
PHENOL, 2,2',2''-(1,3,5-TRIAZINE-2,4,6-TRIYL)TRIS(5-((2-ETHYLHEXYL)OXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
C5U25UE3YR
Created by admin on Sat Dec 16 11:15:43 GMT 2023 , Edited by admin on Sat Dec 16 11:15:43 GMT 2023
PRIMARY
CAS
345658-37-9
Created by admin on Sat Dec 16 11:15:43 GMT 2023 , Edited by admin on Sat Dec 16 11:15:43 GMT 2023
PRIMARY
PUBCHEM
135966497
Created by admin on Sat Dec 16 11:15:43 GMT 2023 , Edited by admin on Sat Dec 16 11:15:43 GMT 2023
PRIMARY