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Details

Stereochemistry RACEMIC
Molecular Formula C37H52O3
Molecular Weight 544.807
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1,3-TRI(3-TERT-BUTYL-4-HYDROXY-6-METHYLPHENYL)BUTANE

SMILES

CC(CC(C1=C(C)C=C(O)C(=C1)C(C)(C)C)C2=C(C)C=C(O)C(=C2)C(C)(C)C)C3=C(C)C=C(O)C(=C3)C(C)(C)C

InChI

InChIKey=PRWJPWSKLXYEPD-UHFFFAOYSA-N
InChI=1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1,1,3-TRI(3-TERT-BUTYL-4-HYDROXY-6-METHYLPHENYL)BUTANE
Systematic Name English
TRI(BUTYLCRESYL)BUTANE
Systematic Name English
PHENOL, 4,4',4''-(1-METHYL-1-PROPANYL-3-YLIDENE)TRIS(2-(1,1-DIMETHYLETHYL)-5-METHYL-
Systematic Name English
4,4',4''-(1-METHYLPROPANYL-3-YLIDENE)TRIS(6-TERT-BUTYL-M- CRESOL)
Common Name English
TOPANOL CA
Brand Name English
1,1,3-TRIS(5-TERT-BUTYL-4-HYDROXY-2-METHYLPHENYL)BUTANE
Systematic Name English
M-CRESOL, 4,4',4''-(1-METHYL-1-PROPANYL-3-YLIDENE)TRIS(6-TERT-BUTYL-
Systematic Name English
4,4',4''-(1-METHYL-1-PROPANYL-3-YLIDENE)TRIS(2-(1,1- DIMETHYLETHYL- )-5-METHYLPHNOL)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID0038883
Created by admin on Sat Dec 16 09:51:38 GMT 2023 , Edited by admin on Sat Dec 16 09:51:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-420-7
Created by admin on Sat Dec 16 09:51:38 GMT 2023 , Edited by admin on Sat Dec 16 09:51:38 GMT 2023
PRIMARY
CAS
1843-03-4
Created by admin on Sat Dec 16 09:51:38 GMT 2023 , Edited by admin on Sat Dec 16 09:51:38 GMT 2023
PRIMARY
DAILYMED
BF6E9O0XJN
Created by admin on Sat Dec 16 09:51:38 GMT 2023 , Edited by admin on Sat Dec 16 09:51:38 GMT 2023
PRIMARY
PUBCHEM
92905
Created by admin on Sat Dec 16 09:51:38 GMT 2023 , Edited by admin on Sat Dec 16 09:51:38 GMT 2023
PRIMARY
RXCUI
1872247
Created by admin on Sat Dec 16 09:51:38 GMT 2023 , Edited by admin on Sat Dec 16 09:51:38 GMT 2023
PRIMARY
FDA UNII
BF6E9O0XJN
Created by admin on Sat Dec 16 09:51:38 GMT 2023 , Edited by admin on Sat Dec 16 09:51:38 GMT 2023
PRIMARY