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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

SHOW SMILES / InChI
Structure of AMMONIUM (4-(TERT-BUTYL)PHENYL) (4-(TERT-PENTYL)PHENYL) PHOSPHATE

SMILES

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

InChI

InChIKey=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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
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
PUBCHEM
3020874
Created by admin on Sat Dec 16 12:41:56 GMT 2023 , Edited by admin on Sat Dec 16 12:41:56 GMT 2023
PRIMARY
CAS
85665-52-7
Created by admin on Sat Dec 16 12:41:56 GMT 2023 , Edited by admin on Sat Dec 16 12:41:56 GMT 2023
PRIMARY
FDA UNII
671NV79D7W
Created by admin on Sat Dec 16 12:41:56 GMT 2023 , Edited by admin on Sat Dec 16 12:41:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
288-141-6
Created by admin on Sat Dec 16 12:41:56 GMT 2023 , Edited by admin on Sat Dec 16 12:41:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID90234918
Created by admin on Sat Dec 16 12:41:56 GMT 2023 , Edited by admin on Sat Dec 16 12:41:56 GMT 2023
PRIMARY
NIH
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