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Details

Stereochemistry ACHIRAL
Molecular Formula C35H52O6
Molecular Weight 568.7838
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL BIS((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)MALONATE

SMILES

COC(=O)C(CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(=O)OC

InChI

InChIKey=DACLFYHENIWLCN-UHFFFAOYSA-N
InChI=1S/C35H52O6/c1-31(2,3)23-15-21(16-24(27(23)36)32(4,5)6)19-35(29(38)40-13,30(39)41-14)20-22-17-25(33(7,8)9)28(37)26(18-22)34(10,11)12/h15-18,36-37H,19-20H2,1-14H3

HIDE SMILES / InChI

Molecular Formula C35H52O6
Molecular Weight 568.7838
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 12:35:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:30 GMT 2023
Record UNII
IW3T6L6QUR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL BIS((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)MALONATE
Systematic Name English
PROPANEDIOIC ACID, BIS((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, DIMETHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
IW3T6L6QUR
Created by admin on Sat Dec 16 12:35:30 GMT 2023 , Edited by admin on Sat Dec 16 12:35:30 GMT 2023
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PUBCHEM
3016067
Created by admin on Sat Dec 16 12:35:30 GMT 2023 , Edited by admin on Sat Dec 16 12:35:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-392-5
Created by admin on Sat Dec 16 12:35:30 GMT 2023 , Edited by admin on Sat Dec 16 12:35:30 GMT 2023
PRIMARY
CAS
39266-67-6
Created by admin on Sat Dec 16 12:35:30 GMT 2023 , Edited by admin on Sat Dec 16 12:35:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID20192517
Created by admin on Sat Dec 16 12:35:30 GMT 2023 , Edited by admin on Sat Dec 16 12:35:30 GMT 2023
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