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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
methyl 3-[3-(2H-1,2,3-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate

Inventory

EC number:
400-820-2
EC name:
-
CAS number:
-
Description:
CGL 571
CAS number:
84268-33-7
Synonyms
Names:
Identifier:
IUPAC name
Methyl 3-[3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(2-methyl-2-propanyl)phenyl]propanoate
Identifier:
IUPAC name
methyl 3-[3-(2H-1,2,3-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
Identifier:
other: InChl
InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
Identifier:
other: Molecular formula
C20H23N3O3
Identifier:
other: SMILES notation
C3C=CC2C(C=3)=NN(C1=CC(CCC(=O)OC)=CC(C(C)(C)C)=C1O)N=2
Identifier:
other: SMILES notation
CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O
3-[3-tert-butyl-5-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]propionate

Molecular and structural information

Molecular formula:
C20 H23 N3 O3
Molecular weight:
353.421
SMILES notation:
O=C(OC)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2
InChl:
InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
Structural formula:
Chemical structure

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