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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14O3
Molecular Weight 218.2485
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOXOL

SMILES

CC(=C)[C@@H]1OC2=C(C=C(C=C2)C(C)=O)[C@H]1O

InChI

InChIKey=KWZYQHQNOWRQRG-OLZOCXBDSA-N
InChI=1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H14O3
Molecular Weight 218.2485
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 Sat Dec 16 17:01:58 GMT 2023
Edited
by admin
on Sat Dec 16 17:01:58 GMT 2023
Record UNII
YQX3QAA4JL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOXOL
Common Name English
BENZOFURAN, 5-ACETYL-2,3-DIHYDRO-3-HYDROXY-2-ISOPROPENYL-, (2S,3R)-(-)-
Systematic Name English
ETHANONE, 1-(2,3-DIHYDRO-3-HYDROXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)-, (2S-TRANS)-
Systematic Name English
KETONE, 2,3-DIHYDRO-3-HYDROXY-2-ISOPROPENYL-5-BENZOFURANYL METHYL, (2S,3S)-
Systematic Name English
1-((2S,3R)-2,3-DIHYDRO-3-HYDROXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)ETHANONE
Common Name English
ETHANONE, 1-((2S,3R)-2,3-DIHYDRO-3-HYDROXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)-
Systematic Name English
NSC-247530
Code English
Code System Code Type Description
PUBCHEM
441948
Created by admin on Sat Dec 16 17:01:59 GMT 2023 , Edited by admin on Sat Dec 16 17:01:59 GMT 2023
PRIMARY
WIKIPEDIA
Toxol
Created by admin on Sat Dec 16 17:01:59 GMT 2023 , Edited by admin on Sat Dec 16 17:01:59 GMT 2023
PRIMARY
NSC
247530
Created by admin on Sat Dec 16 17:01:59 GMT 2023 , Edited by admin on Sat Dec 16 17:01:59 GMT 2023
PRIMARY
FDA UNII
YQX3QAA4JL
Created by admin on Sat Dec 16 17:01:59 GMT 2023 , Edited by admin on Sat Dec 16 17:01:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID70949159
Created by admin on Sat Dec 16 17:01:59 GMT 2023 , Edited by admin on Sat Dec 16 17:01:59 GMT 2023
PRIMARY
CAS
26296-56-0
Created by admin on Sat Dec 16 17:01:59 GMT 2023 , Edited by admin on Sat Dec 16 17:01:59 GMT 2023
PRIMARY