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Reference substances

Reference substances

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General information

Inventory

EC number:
254-996-9
EC name:
1,3,5-tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS number:
40601-76-1

No inventory information available

Reference substance information

IUPAC name:
tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
Synonyms
Names:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl) -3-hydroxy-2,6-dimethylphenyl]methyl]-
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-
Cyanox (TM) 1790 Antioxidant
Lowinox 1790
[tris(4-t-butyl-3-hydroxy-2,6-dimethyl-benzyl)-s-triazine-2,4,6-(1H,3H,5H) trione]
Identifier:
CAS number
40601-76-1
Identifier:
IUPAC name
1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione
Identifier:
other: SMILES notation
Cc1cc(c(O)c(C)c1CN2C(=O)N(Cc3c(C)cc(c(O)c3C)C(C)(C)C)C(=O)N(Cc4c(C)cc(c(O)c4C)C(C)(C)C)C2=O)C(C)(C)C
Identifier:
other: InChl
InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
Identifier:
other: SMILES notation
O=C3(N(Cc1(c(C)c(O)c(C(C)(C)C)cc1C))C(=O)N(Cc2(c(C)c(O)c(C(C)(C)C)cc2C))C(=O)N3Cc4(c(C)c(O)c(C(C)(C)C)cc4C))
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate

CAS information

CAS number:
40601-76-1

Molecular and structural information

Molecular formula:
C42H57N3O6
Molecular weight:
699.94
SMILES notation:
O=C3(N(Cc1(c(C)c(O)c(C(C)(C)C)cc1C))C(=O)N(Cc2(c(C)c(O)c(C(C)(C)C)cc2
C))C(=O)N3Cc4(c(C)c(O)c(C(C)(C)C)cc4C))
InChl:
InChI=1/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
Structural formula:
Chemical structure