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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H18O2
Molecular Weight 182.2594
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6,6-Trimethyl-2-cyclohexene-1-acetic acid, (1S)-

SMILES

CC1=CCCC(C)(C)[C@@H]1CC(O)=O

InChI

InChIKey=BTSNEEWHODTUJD-SECBINFHSA-N
InChI=1S/C11H18O2/c1-8-5-4-6-11(2,3)9(8)7-10(12)13/h5,9H,4,6-7H2,1-3H3,(H,12,13)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H18O2
Molecular Weight 182.2594
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:56:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:31 GMT 2023
Record UNII
BW5RM38ELZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6,6-Trimethyl-2-cyclohexene-1-acetic acid, (1S)-
Systematic Name English
2-[(1S)-2,6,6-Trimethylcyclohex-2-en-1-yl]acetic acid
Systematic Name English
2-Cyclohexene-1-acetic acid, 2,6,6-trimethyl-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10899298
Created by admin on Sat Dec 16 19:56:31 GMT 2023 , Edited by admin on Sat Dec 16 19:56:31 GMT 2023
PRIMARY
CAS
147641-89-2
Created by admin on Sat Dec 16 19:56:31 GMT 2023 , Edited by admin on Sat Dec 16 19:56:31 GMT 2023
PRIMARY
FDA UNII
BW5RM38ELZ
Created by admin on Sat Dec 16 19:56:31 GMT 2023 , Edited by admin on Sat Dec 16 19:56:31 GMT 2023
PRIMARY
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