Ketcher 09061716092D 1   1.00000     0.00000     0

  7  7  0     0  0            999 V2000
   -0.4044    0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4044   -0.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364    0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704   -1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364   -0.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -1.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  3  1  0     0  0
  5  2  2  0     0  0
  6  4  2  0     0  0
  5  6  1  0     0  0
  7  6  1  0     0  0
M  RAD  1   7   2
M  END
> <ID>
CHEBI:137811

> <NAME>
phenoxy radical

> <DEFINITION>
An organic radical generated from phenol.

> <STAR>
3

> <SYNONYM>
phenoxyl; phenoxy; phenolic radical; C6H5-O(.)

> <IUPAC_NAME>
phenyloxidanyl

> <FORMULA>
C6H5O

> <MASS>
93.104

> <MONOISOTOPIC_MASS>
93.03404

> <CHARGE>
0

> <SMILES>
C=1C=CC(=CC1)[O]

> <INCHI>
InChI=1S/C6H5O/c7-6-4-2-1-3-5-6/h1-5H

> <INCHIKEY>
KHUXNRRPPZOJPT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2122-46-5

> <CHEMIDPLUS>
2122-46-5

> <NIST_CHEMISTRY_WEBBOOK>
2122-46-5

> <PUBMED_CITATION>
12351824; 30566134; 32083853; 33368926

$$$$