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Details

Stereochemistry MIXED
Molecular Formula C21H36O4
Molecular Weight 352.5081
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-CARBOXY-4-HEXYL-2-CYCLOHEXENE-1-OCTANOIC ACID

SMILES

CCCCCCC1CC(C(CCCCCCCC(O)=O)C=C1)C(O)=O

InChI

InChIKey=JMUKALCRCFJQTI-UHFFFAOYSA-N
InChI=1S/C21H36O4/c1-2-3-4-8-11-17-14-15-18(19(16-17)21(24)25)12-9-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)

HIDE SMILES / InChI

Molecular Formula C21H36O4
Molecular Weight 352.5081
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 04:55:39 GMT 2023
Edited
by admin
on Sat Dec 16 04:55:39 GMT 2023
Record UNII
335AS5N09E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-CARBOXY-4-HEXYL-2-CYCLOHEXENE-1-OCTANOIC ACID
Systematic Name English
8-(6-CARBOXY-4-HEXYL-2-CYCLOHEXEN-1-YL)OCTANOIC ACID
Systematic Name English
2-CYCLOHEXENE-1-OCTANOIC ACID, 6-CARBOXY-4-HEXYL-
Common Name English
(±)-6-CARBOXY-4-HEXYL-2-CYCLOHEXENE-1-OCTANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
335AS5N09E
Created by admin on Sat Dec 16 04:55:39 GMT 2023 , Edited by admin on Sat Dec 16 04:55:39 GMT 2023
PRIMARY
CAS
42763-46-2
Created by admin on Sat Dec 16 04:55:39 GMT 2023 , Edited by admin on Sat Dec 16 04:55:39 GMT 2023
PRIMARY
PUBCHEM
13241589
Created by admin on Sat Dec 16 04:55:39 GMT 2023 , Edited by admin on Sat Dec 16 04:55:39 GMT 2023
PRIMARY