Chem
J-GLOBAL ID:200907001922545118
Nikkaji number:J1.384.422D
2β-(Mesitylthio)-3α-phenethyl-3-methylcyclobutanone
2β-(メシチルチオ)-3α-フェネチル-3-メチルシクロブタノン
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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:
C22 H26 OS
Molecular formula furigana:
C22-H26-O-S
Molecular weight:
338.510
InChI:
InChI=1S/C22H26OS/c1-15-12-16(2)20(17(3)13-15)24-21-19(23)14-22(21,4)11-10-18-8-6-5-7-9-18/h5-9,12-13,21H,10-11,14H2,1-4H3/t21-,22-/m1/s1
InChI key:
LVQQCGDIEPRMII-FGZHOGPDSA-N
SMILES:
Cc1cc(C)c(S[C@@H]2C(=O)C[C@@]2(C)CCc2ccccc2)c(C)c1
Systematic name (3):
2β-(メシチルチオ)-3α-フェネチル-3-メチルシクロブタノン
(2S,3R)-3-メチル-3-(2-フェニルエチル)-2-[(2,4,6-トリメチルフェニル)スルファニル]シクロブタン-1-オン
(2S,3R)-3-methyl-3-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfanyl]cyclobutan-1-one
Other name (1):
2β-(Mesitylthio)-3α-phenethyl-3-methylcyclobutanone
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