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Details

Stereochemistry ACHIRAL
Molecular Formula C34H50O4
Molecular Weight 522.7584
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXESTROL DICAPRYLATE

SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)[C@@H](CC)[C@@H](CC)C2=CC=C(OC(=O)CCCCCCC)C=C2

InChI

InChIKey=JZMCTYYCJNIOBO-MEKGRNQZSA-N
InChI=1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3/t31-,32+

HIDE SMILES / InChI

Molecular Formula C34H50O4
Molecular Weight 522.7584
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:05:09 UTC 2023
Edited
by admin
on Sat Dec 16 08:05:09 UTC 2023
Record UNII
J9DFR4IT9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXESTROL DICAPRYLATE
WHO-DD  
Common Name English
OCTANOIC ACID, (1,2-DIETHYL-1,2-ETHANEDIYL)DI-4,1-PHENYLENE ESTER
Systematic Name English
OCTANOIC ACID, DIESTER WITH 4,4'-(1,2-DIETHYLETHYLENE)DIPHENOL
Common Name English
OCTANOIC ACID, (1,2-DIETHYLETHYLENE)DI-P-PHENYLENE ESTER
Common Name English
PHENOL, 4,4'-(1,2-DIETHYLETHYLENE)DI-, DIOCTANOATE
Systematic Name English
Hexestrol dicaprylate [WHO-DD]
Common Name English
Code System Code Type Description
EVMPD
SUB02512MIG
Created by admin on Sat Dec 16 08:05:09 UTC 2023 , Edited by admin on Sat Dec 16 08:05:09 UTC 2023
PRIMARY
PUBCHEM
21123950
Created by admin on Sat Dec 16 08:05:09 UTC 2023 , Edited by admin on Sat Dec 16 08:05:09 UTC 2023
PRIMARY
SMS_ID
100000086682
Created by admin on Sat Dec 16 08:05:09 UTC 2023 , Edited by admin on Sat Dec 16 08:05:09 UTC 2023
PRIMARY
CAS
20305-51-5
Created by admin on Sat Dec 16 08:05:09 UTC 2023 , Edited by admin on Sat Dec 16 08:05:09 UTC 2023
PRIMARY
WIKIPEDIA
Hexestrol dicaprylate
Created by admin on Sat Dec 16 08:05:09 UTC 2023 , Edited by admin on Sat Dec 16 08:05:09 UTC 2023
PRIMARY
FDA UNII
J9DFR4IT9Z
Created by admin on Sat Dec 16 08:05:09 UTC 2023 , Edited by admin on Sat Dec 16 08:05:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID50942446
Created by admin on Sat Dec 16 08:05:09 UTC 2023 , Edited by admin on Sat Dec 16 08:05:09 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY