Marvin  09260811452D          

 23 25  0  0  0  0            999 V2000
   -0.0884    1.1491    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884    1.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261    0.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8029    0.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019    0.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550    2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7695    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7695    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2318    2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2318    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019   -2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  9  6  2  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 16  7  2  0  0  0  0
  7 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <ID>
CHEBI:35033

> <NAME>
triphenyl phosphate

> <DEFINITION>
An  aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol.

> <STAR>
3

> <SYNONYM>
Triphenylphosphate; Triphenyl phosphate; Triphenoxyphosphine oxide; TPP; Phosphoric acid, triphenyl ester

> <IUPAC_NAME>
triphenyl phosphate

> <FORMULA>
C18H15O4P

> <MASS>
326.28306

> <MONOISOTOPIC_MASS>
326.07080

> <CHARGE>
0

> <SMILES>
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1

> <INCHI>
InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

> <INCHIKEY>
XZZNDPSIHUTMOC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1888236

> <CAS_REGISTRY_NUMBER>
115-86-6

> <REAXYS_REGISTRY_NUMBER>
1888236

> <CHEMIDPLUS>
115-86-6

> <KEGG_COMPOUND_ACCESSION>
C14235

> <NIST_CHEMISTRY_WEBBOOK>
115-86-6

> <WIKIPEDIA_ACCESSION>
Triphenyl_phosphate

> <PUBMED_CITATION>
24316320; 24395120

$$$$