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Details

Stereochemistry ACHIRAL
Molecular Formula C26H34O6
Molecular Weight 442.5446
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CI-924

SMILES

CC(C)(CCCOC1=CC=C(OCCCC(C)(C)C(O)=O)C(=C1)C2=CC=CC=C2)C(O)=O

InChI

InChIKey=RPGQBVHHFQUGBU-UHFFFAOYSA-N
InChI=1S/C26H34O6/c1-25(2,23(27)28)14-8-16-31-20-12-13-22(21(18-20)19-10-6-5-7-11-19)32-17-9-15-26(3,4)24(29)30/h5-7,10-13,18H,8-9,14-17H2,1-4H3,(H,27,28)(H,29,30)

HIDE SMILES / InChI

Molecular Formula C26H34O6
Molecular Weight 442.5446
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 Fri Dec 15 15:16:32 UTC 2023
Edited
by admin
on Fri Dec 15 15:16:32 UTC 2023
Record UNII
66G4B6TD9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI-924
Code English
PENTANOIC ACID, 5,5'-((1,1'-BIPHENYL)-2,5-DIYLBIS(OXY))BIS(2,2-DIMETHYL-
Systematic Name English
5,5'-((1,1'-BIPHENYL)-2,5-DIYLBIS(OXY))BIS-(2,2-DIMETHYL)PENTANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
127627
Created by admin on Fri Dec 15 15:16:33 UTC 2023 , Edited by admin on Fri Dec 15 15:16:33 UTC 2023
PRIMARY
CAS
79520-77-7
Created by admin on Fri Dec 15 15:16:33 UTC 2023 , Edited by admin on Fri Dec 15 15:16:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID9020162
Created by admin on Fri Dec 15 15:16:33 UTC 2023 , Edited by admin on Fri Dec 15 15:16:33 UTC 2023
PRIMARY
ECHA (EC/EINECS)
279-174-7
Created by admin on Fri Dec 15 15:16:33 UTC 2023 , Edited by admin on Fri Dec 15 15:16:33 UTC 2023
PRIMARY
FDA UNII
66G4B6TD9S
Created by admin on Fri Dec 15 15:16:33 UTC 2023 , Edited by admin on Fri Dec 15 15:16:33 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY