Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
671NV79D7W
Record Status Validated
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28O4P.H4N
Molecular Weight 393.4568
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 06:03:52 EDT 2021
Edited by admin on Wed Aug 04 06:03:52 EDT 2021
Structure of AMMONIUM (4-(TERT-BUTYL)PHENYL) (4-(TERT-PENTYL)PHENYL) PHOSPHATE

Systematic Names:

  • None recorded

SMILES

[NH4+].CCC(C)(C)C1=CC=C(OP([O-])(=O)OC2=CC=C(C=C2)C(C)(C)C)C=C1

InChI

XXQVAIZNXFCTMK-UHFFFAOYSA-N
InChI=1S/C21H29O4P.H3N/c1-7-21(5,6)17-10-14-19(15-11-17)25-26(22,23)24-18-12-8-16(9-13-18)20(2,3)4;/h8-15H,7H2,1-6H3,(H,22,23);1H3
Name Type Language Details Access References
AMMONIUM (4-(TERT-BUTYL)PHENYL) (4-(TERT-PENTYL)PHENYL) PHOSPHATE
Systematic Name
English  
PHOSPHORIC ACID, MONO(4-(1,1-DIMETHYLETHYL)PHENYL) MONO(4-(1,1-DIMETHYLPROPYL)PHENYL) ESTER, AMMONIUM SALT
Systematic Name
English  
Code System Code Type Description Access References
CAS
85665-52-7
Created by admin on Wed Aug 04 06:03:52 EDT 2021 , Edited by admin on Wed Aug 04 06:03:52 EDT 2021
PRIMARY
ECHA (EC/EINECS)
288-141-6
Created by admin on Wed Aug 04 06:03:52 EDT 2021 , Edited by admin on Wed Aug 04 06:03:52 EDT 2021
PRIMARY
EPA CompTox
85665-52-7
Created by admin on Wed Aug 04 06:03:52 EDT 2021 , Edited by admin on Wed Aug 04 06:03:52 EDT 2021
PRIMARY
FDA UNII
671NV79D7W
Created by admin on Wed Aug 04 06:03:52 EDT 2021 , Edited by admin on Wed Aug 04 06:03:52 EDT 2021
PRIMARY
PUBCHEM
3020874
Created by admin on Wed Aug 04 06:03:52 EDT 2021 , Edited by admin on Wed Aug 04 06:03:52 EDT 2021
PRIMARY
Note Access References
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: N
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: CCC(C)(C)C1=CC=C(OP(O)(=O)OC2=CC=C(C=C2)C(C)(C)C)C=C1
Created Wed Aug 04 06:03:52 EDT 2021
Created By admin
Last Edited Wed Aug 04 06:03:52 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Aug 04 06:03:52 EDT 2021
2 SRS CODE IMPORT SRS NOMEN Fri Apr 28 15:40:57 EDT 2017
3 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 06:03:51 EDT 2021
4 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE
5 STN STN (SCIFINDER)
6 CHEMID CHEMID PUBLIC_DOMAIN_RELEASE
7 EPA EPA NOMEN
8 stn STN (SCIFINDER) PUBLIC_DOMAIN_RELEASE

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H29O4P
Molecular Weight 376.4263
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE