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Details

Stereochemistry ACHIRAL
Molecular Formula 2C17H28O4P.Ca
Molecular Weight 694.829
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BIS(ETHYL 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE)

SMILES

[Ca++].CCOP([O-])(=O)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C.CCOP([O-])(=O)CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C

InChI

InChIKey=SJEZDMHBMZPMME-UHFFFAOYSA-L
InChI=1S/2C17H29O4P.Ca/c2*1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h2*9-10,18H,8,11H2,1-7H3,(H,19,20);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C17H28O4P
Molecular Weight 327.3756
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
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 05:01:37 GMT 2023
Edited
by admin
on Sat Dec 16 05:01:37 GMT 2023
Record UNII
9BO934602W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM BIS(ETHYL 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE)
Common Name English
CALCIUM (3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL MONOETHYL PHOSPHONATE)
Systematic Name English
CALCIUM BIS(MONOETHYL(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)PHOSPHONATE)
Common Name English
PHOSPHONIC ACID, ((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, MONOETHYL ESTER, CALCIUM SALT (2:1)
Common Name English
ETHYL 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE, CALCIUM SALT
Common Name English
PHOSPHONIC ACID, P-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, MONOETHYL ESTER, CALCIUM SALT (2:1)
Common Name English
IRGANOX 1425
Common Name English
Code System Code Type Description
PUBCHEM
103255
Created by admin on Sat Dec 16 05:01:37 GMT 2023 , Edited by admin on Sat Dec 16 05:01:37 GMT 2023
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CAS
65140-91-2
Created by admin on Sat Dec 16 05:01:37 GMT 2023 , Edited by admin on Sat Dec 16 05:01:37 GMT 2023
PRIMARY
FDA UNII
9BO934602W
Created by admin on Sat Dec 16 05:01:37 GMT 2023 , Edited by admin on Sat Dec 16 05:01:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID9044249
Created by admin on Sat Dec 16 05:01:37 GMT 2023 , Edited by admin on Sat Dec 16 05:01:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
265-512-0
Created by admin on Sat Dec 16 05:01:37 GMT 2023 , Edited by admin on Sat Dec 16 05:01:37 GMT 2023
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