Chem
J-GLOBAL ID:200907061640550421
Nikkaji number:J1.616.054G
(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3,4-dimethyl-1-pentanone
(3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3,4-ジメチル-1-ペンタノン
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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:
C18 H23 NO2 S
Molecular formula furigana:
C18-H23-N-O2-S
Molecular weight:
317.450
InChI:
InChI=1S/C18H23NO2S/c1-13(2)15(4)12-17(20)19-11-5-6-18(19)22(21)16-9-7-14(3)8-10-16/h5-11,13,15H,12H2,1-4H3/t15-,22?/m0/s1
InChI key:
QZCCHUCLFWUKPP-UEDXYCIISA-N
SMILES:
CC(C)[C@@H](C)CC(=O)n1cccc1S(=O)c1ccc(C)cc1
Systematic name (3):
(3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3,4-ジメチル-1-ペンタノン
(3S)-3,4-ジメチル-1-[2-(4-メチルベンゼンスルフィニル)-1H-ピロール-1-イル]ペンタン-1-オン
(3S)-3,4-dimethyl-1-[2-(4-methylbenzenesulfinyl)-1H-pyrrol-1-yl]pentan-1-one
Other name (1):
(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3,4-dimethyl-1-pentanone
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