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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10O3
Molecular Weight 178.1846
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSCLERONE, (S)-

SMILES

O[C@H]1CCC(=O)C2=C1C=CC=C2O

InChI

InChIKey=ZXYYTDCENDYKBR-ZETCQYMHSA-N
InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H10O3
Molecular Weight 178.1846
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 21:09:11 GMT 2025
Edited
by admin
on Mon Mar 31 21:09:11 GMT 2025
Record UNII
YF5MZ96X5K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSCLERONE, (S)-
Common Name English
ISOSCLERONE
Preferred Name English
(+)-REGIOLONE
Common Name English
ISOSCLERONE, (S)-(+)-
Common Name English
(4S)-3,4-DIHYDRO-4,8-DIHYDROXY-1(2H)-NAPHTHALENONE
Systematic Name English
(S)-(+)-ISOSCLERONE
Common Name English
ISOSCLERONE-
Common Name English
(4S)-4,8-DIHYDROXY-.ALPHA.-TETRALONE
Common Name English
REGIOLONE
Common Name English
1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-4,8-DIHYDROXY-, (4S)-
Systematic Name English
(4S)-4,8-DIHYDROXYTETRALIN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
YF5MZ96X5K
Created by admin on Mon Mar 31 21:09:11 GMT 2025 , Edited by admin on Mon Mar 31 21:09:11 GMT 2025
PRIMARY
CAS
54712-38-8
Created by admin on Mon Mar 31 21:09:11 GMT 2025 , Edited by admin on Mon Mar 31 21:09:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID801318296
Created by admin on Mon Mar 31 21:09:11 GMT 2025 , Edited by admin on Mon Mar 31 21:09:11 GMT 2025
PRIMARY
PUBCHEM
13369486
Created by admin on Mon Mar 31 21:09:11 GMT 2025 , Edited by admin on Mon Mar 31 21:09:11 GMT 2025
PRIMARY
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