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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20O3
Molecular Weight 272.3389
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHALLENESTRILPHENOL, (-)-

SMILES

CC[C@@H](C1=CC=C2C=C(O)C=CC2=C1)C(C)(C)C(O)=O

InChI

InChIKey=OKLBSPJQRWHBMY-HNNXBMFYSA-N
InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H20O3
Molecular Weight 272.3389
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 Mon Mar 31 21:26:58 GMT 2025
Edited
by admin
on Mon Mar 31 21:26:58 GMT 2025
Record UNII
KW825I86KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHALLENESTRILPHENOL, (-)-
Common Name English
NSC-85447
Preferred Name English
2-NAPHTHALENEPROPANOIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (S)-
Common Name English
(-)-3-(6-HYDROXY-2-NAPHTHYL)-2,2-DIMETHYLPENTANOIC ACID
Systematic Name English
2-NAPHTHALENEPROPIONIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (-)-
Common Name English
(-)-METHALLENESTRIL PHENOL
Common Name English
2-NAPHTHALENEPROPANOIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (.BETA.S)-
Common Name English
Code System Code Type Description
CAS
17660-00-3
Created by admin on Mon Mar 31 21:26:58 GMT 2025 , Edited by admin on Mon Mar 31 21:26:58 GMT 2025
PRIMARY
FDA UNII
KW825I86KB
Created by admin on Mon Mar 31 21:26:58 GMT 2025 , Edited by admin on Mon Mar 31 21:26:58 GMT 2025
PRIMARY
PUBCHEM
5771582
Created by admin on Mon Mar 31 21:26:58 GMT 2025 , Edited by admin on Mon Mar 31 21:26:58 GMT 2025
PRIMARY
NSC
85447
Created by admin on Mon Mar 31 21:26:58 GMT 2025 , Edited by admin on Mon Mar 31 21:26:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID1022506
Created by admin on Mon Mar 31 21:26:58 GMT 2025 , Edited by admin on Mon Mar 31 21:26:58 GMT 2025
PRIMARY