Chem
J-GLOBAL ID:200907054116128570
Nikkaji number:J19.423I
Gramplus
オクトフェン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C21 H26 Cl2 O
Molecular formula furigana:
C21-H26-CL2-O
Molecular weight:
365.340
InChI:
InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
InChI key:
HQVZOORKDNCGCK-UHFFFAOYSA-N
SMILES:
CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1
Systematic name (3):
2-[(2,4-ジクロロフェニル)メチル]-4-(1,1,3,3-テトラメチルブチル)フェノール
2-[(2,4-ジクロロフェニル)メチル]-4-(2,4,4-トリメチルペンタン-2-イル)フェノール
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Other name (7):
クロホクトール
Clofoctol
2-[(2,4-Dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
オクトフェン
グラムプラス
Octofene
Gramplus
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CAS registry number:
37693-01-9
Regulation number (1):
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