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Details

Stereochemistry RACEMIC
Molecular Formula C10H14O2
Molecular Weight 166.217
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-2(3H)-BENZOFURANONE, CIS-(+-)-

SMILES

CC1=C[C@@H]2OC(=O)C[C@]2(C)CC1

InChI

InChIKey=MTEGPWHCOVGBCW-WPRPVWTQSA-N
InChI=1S/C10H14O2/c1-7-3-4-10(2)6-9(11)12-8(10)5-7/h5,8H,3-4,6H2,1-2H3/t8-,10-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
REL-(3AR,7AR)-3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-2(3H)-BENZOFURANONE
Preferred Name English
3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-2(3H)-BENZOFURANONE, CIS-(+-)-
Common Name English
2(3H)-BENZOFURANONE, 3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-, (3AR,7AR)-REL-
Systematic Name English
2(3H)-BENZOFURANONE, 3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-, CIS-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
UD26V668KE
Created by admin on Tue Apr 01 17:47:55 GMT 2025 , Edited by admin on Tue Apr 01 17:47:55 GMT 2025
PRIMARY
CAS
33722-72-4
Created by admin on Tue Apr 01 17:47:55 GMT 2025 , Edited by admin on Tue Apr 01 17:47:55 GMT 2025
PRIMARY
PUBCHEM
71361095
Created by admin on Tue Apr 01 17:47:55 GMT 2025 , Edited by admin on Tue Apr 01 17:47:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID20784850
Created by admin on Tue Apr 01 17:47:55 GMT 2025 , Edited by admin on Tue Apr 01 17:47:55 GMT 2025
PRIMARY
NIH
NCATS
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