Marvin  01290711262D          
 
  8  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4750    0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  6   1  -1   3  -1   5  -1   6   1   7   1   8   1
M  END
> <ID>
CHEBI:37583

> <NAME>
trisodium phosphate

> <STAR>
3

> <SYNONYM>
Trinatriumphosphat; tribasic sodium phosphate; tribasic sodium orthophosphate; tertiary sodium phosphate; tertiaeres Natriumphosphat(V); sodium phosphate, tribasic; sodium phosphate; sodium orthophosphate; phosphoric acid trisodium salt; Na3PO4

> <IUPAC_NAME>
trisodium phosphate

> <FORMULA>
Na3O4P

> <MASS>
163.94067

> <MONOISOTOPIC_MASS>
163.92273

> <CHARGE>
0

> <SMILES>
[Na+].[Na+].[Na+].[O-]P([O-])([O-])=O

> <INCHI>
InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3

> <INCHIKEY>
RYFMWSXOAZQYPI-UHFFFAOYSA-K

> <CAS_REGISTRY_NUMBER>
7601-54-9

> <GMELIN_REGISTRY_NUMBER>
13228

> <CHEMIDPLUS>
7601-54-9

> <NIST_CHEMISTRY_WEBBOOK>
7601-54-9

> <WIKIPEDIA_ACCESSION>
Sodium_phosphates

$$$$