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Details

Stereochemistry ACHIRAL
Molecular Formula C8H17O4P.2Na
Molecular Weight 254.1715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phosphoric acid, monoisooctyl ester, disodium salt

SMILES

[Na+].[Na+].CC(C)CCCCCOP([O-])([O-])=O

InChI

InChIKey=HDXQVGBITVNZCH-UHFFFAOYSA-L
InChI=1S/C8H19O4P.2Na/c1-8(2)6-4-3-5-7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H17O4P
Molecular Weight 208.1919
Charge -2
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 12:32:07 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:07 GMT 2023
Record UNII
MN4PW3YN5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phosphoric acid, monoisooctyl ester, disodium salt
Common Name English
Phosphoric acid, monoisooctyl ester, sodium salt (1:2)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
268-523-9
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
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CAS
68110-42-9
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY
PUBCHEM
106624
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID2071108
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY
FDA UNII
MN4PW3YN5R
Created by admin on Sat Dec 16 12:32:07 GMT 2023 , Edited by admin on Sat Dec 16 12:32:07 GMT 2023
PRIMARY