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Details

Stereochemistry RACEMIC
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6,7,8-Tetrahydro-1,6,7-naphthalenetriol, cis-

SMILES

O[C@H]1CC2=CC=CC(O)=C2C[C@H]1O

InChI

InChIKey=AUKZSCHMOAPNEN-VHSXEESVSA-N
InChI=1S/C10H12O3/c11-8-3-1-2-6-4-9(12)10(13)5-7(6)8/h1-3,9-13H,4-5H2/t9-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12O3
Molecular Weight 180.2005
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 Tue Apr 01 18:56:05 GMT 2025
Edited
by admin
on Tue Apr 01 18:56:05 GMT 2025
Record UNII
AR8H7U2FX5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
cis-5,6,7,8-Tetrahydronaphthalene-1,6,7-triol
Preferred Name English
5,6,7,8-Tetrahydro-1,6,7-naphthalenetriol, cis-
Systematic Name English
rel-(6R,7S)-5,6,7,8-Tetrahydro-1,6,7-naphthalenetriol
Systematic Name English
1,6,7-Naphthalenetriol, 5,6,7,8-tetrahydro-, (6R,7S)-rel-
Systematic Name English
cis-5,6,7,8-Tetrahydro-1,6,7-naphthalenetriol
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70189210
Created by admin on Tue Apr 01 18:56:05 GMT 2025 , Edited by admin on Tue Apr 01 18:56:05 GMT 2025
PRIMARY
PUBCHEM
12445741
Created by admin on Tue Apr 01 18:56:05 GMT 2025 , Edited by admin on Tue Apr 01 18:56:05 GMT 2025
PRIMARY
FDA UNII
AR8H7U2FX5
Created by admin on Tue Apr 01 18:56:05 GMT 2025 , Edited by admin on Tue Apr 01 18:56:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
252-682-6
Created by admin on Tue Apr 01 18:56:05 GMT 2025 , Edited by admin on Tue Apr 01 18:56:05 GMT 2025
PRIMARY
CAS
35697-16-6
Created by admin on Tue Apr 01 18:56:05 GMT 2025 , Edited by admin on Tue Apr 01 18:56:05 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE