Marvin  06020913432D          

  8  7  0  0  0  0            999 V2000
   -0.2145    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2145    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.6813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3582    2.6737    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  5  2  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  2   7  -1   8   1
M  END
> <ID>
CHEBI:52476

> <NAME>
sodium phenolate

> <STAR>
3

> <SYNONYM>
Sodium phenoxide; Sodium phenate; Sodium carbolate

> <IUPAC_NAME>
sodium phenolate

> <FORMULA>
C6H5NaO

> <MASS>
116.09310

> <MONOISOTOPIC_MASS>
116.02381

> <CHARGE>
0

> <SMILES>
[Na+].[O-]c1ccccc1

> <INCHI>
InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1

> <INCHIKEY>
NESLWCLHZZISNB-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3597300

> <CAS_REGISTRY_NUMBER>
139-02-6

> <CHEMIDPLUS>
139-02-6

> <KEGG_DRUG_ACCESSION>
D05455

$$$$