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Details

Stereochemistry ACHIRAL
Molecular Formula C21H18N3O10P
Molecular Weight 503.3555
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIS(3-METHYL-4-NITROPHENYL) PHOSPHATE

SMILES

CC1=C(C=CC(OP(=O)(OC2=CC(C)=C(C=C2)[N+]([O-])=O)OC3=CC(C)=C(C=C3)[N+]([O-])=O)=C1)[N+]([O-])=O

InChI

InChIKey=SNIKDGGXGSYRMO-UHFFFAOYSA-N
InChI=1S/C21H18N3O10P/c1-13-10-16(4-7-19(13)22(25)26)32-35(31,33-17-5-8-20(23(27)28)14(2)11-17)34-18-6-9-21(24(29)30)15(3)12-18/h4-12H,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H18N3O10P
Molecular Weight 503.3555
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:20:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:20:47 GMT 2023
Record UNII
EBP4X88WUL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIS(3-METHYL-4-NITROPHENYL) PHOSPHATE
Systematic Name English
PHENOL, 3-METHYL-4-NITRO-, 1,1',1''-(PHOSPHATE)
Systematic Name English
PHENOL, 3-METHYL-4-NITRO-, PHOSPHATE (3:1) (ESTER)
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
271-291-1
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY
CAS
68527-98-0
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY
PUBCHEM
110475
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID0071621
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY
FDA UNII
EBP4X88WUL
Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023
PRIMARY