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Details

Stereochemistry ACHIRAL
Molecular Formula C21H12N3O6PS
Molecular Weight 465.375
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of TRIS(4-ISOCYANATOPHENYL) THIOPHOSPHATE

SMILES

O=C=NC1=CC=C(OP(=S)(OC2=CC=C(C=C2)N=C=O)OC3=CC=C(C=C3)N=C=O)C=C1

InChI

InChIKey=KGLSETWPYVUTQX-UHFFFAOYSA-N
InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H

HIDE SMILES / InChI

Molecular Formula C21H12N3O6PS
Molecular Weight 465.375
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:42 GMT 2023
Edited
by admin
on Fri Dec 15 19:42:42 GMT 2023
Record UNII
0G637UP5EY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIS(4-ISOCYANATOPHENYL) THIOPHOSPHATE
Systematic Name English
PHENOL, 4-ISOCYANATO-, 1,1',1''-PHOSPHOROTHIOATE
Common Name English
THIOPHOSPHORIC ACID TRIS(P-ISOCYANATOPHENYL ESTER)
Common Name English
TRIS(4-ISOCYANATOPHENYL) PHOSPHOROTHIOATE
Systematic Name English
TRIS(P-ISOCYANATOPHENYL) MONOSULFOPHOSPHATE
Common Name English
ISOCYANIC ACID, P-HYDROXYPHENYL ESTER, PHOSPHOROTHIOATE (3:1) (ESTER)
Common Name English
PHOSPHOROTHIOIC ACID, O,O,O-TRIS(P-ISOCYANATOPHENYL) ESTER
Common Name English
TRI(4-PHENYL ISOCYANATE) THIOPHOSPHATE
Common Name English
TRIS(P-ISOCYANATOPHENYL) THIOPHOSPHATE
Common Name English
Code System Code Type Description
CAS
4151-51-3
Created by admin on Fri Dec 15 19:42:42 GMT 2023 , Edited by admin on Fri Dec 15 19:42:42 GMT 2023
PRIMARY
PUBCHEM
77798
Created by admin on Fri Dec 15 19:42:42 GMT 2023 , Edited by admin on Fri Dec 15 19:42:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-981-9
Created by admin on Fri Dec 15 19:42:42 GMT 2023 , Edited by admin on Fri Dec 15 19:42:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID9063320
Created by admin on Fri Dec 15 19:42:42 GMT 2023 , Edited by admin on Fri Dec 15 19:42:42 GMT 2023
PRIMARY
FDA UNII
0G637UP5EY
Created by admin on Fri Dec 15 19:42:42 GMT 2023 , Edited by admin on Fri Dec 15 19:42:42 GMT 2023
PRIMARY