Chem
J-GLOBAL ID：200907051056361751
Nikkaji number：J1.559.084J
Phenyl(trifluoroacetoxy)[2-[3-methoxyphenyl(1,3-benzodioxole-5-ylmethyl)amino]-2-oxoethyl]sulfonium
フェニル(トリフルオロアセトキシ)[2-[3-メトキシフェニル(1,3-ベンゾジオキソール-5-イルメチル)アミノ]-2-オキソエチル]スルホニウム
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
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
Molecular formula： C25H21F3NO6[S+]
Molecular formula furigana： C25-H21-F3-N-O6-S
Molecular weight： 520.500
InChI：
InChI=1S/C25H21F3NO6S/c1-32-19-7-5-6-18(13-19)29(14-17-10-11-21-22(12-17)34-16-33-21)23(30)15-36(20-8-3-2-4-9-20)35-24(31)25(26,27)28/h2-13H,14-16H2,1H3/q+1
InChI key：
LBSVFRFUEFIXKE-UHFFFAOYSA-N
SMILES：
COc1cccc(c1)N(Cc1ccc2OCOc2c1)C(=O)C[S+](OC(=O)C(F)(F)F)c1ccccc1
Systematic name (3)：
- フェニル(トリフルオロアセトキシ)[2-[3-メトキシフェニル(1,3-ベンゾジオキソール-5-イルメチル)アミノ]-2-オキソエチル]スルホニウム
- ({[(2H-1,3-ベンゾジオキソール-5-イル)メチル](3-メトキシフェニル)カルバモイル}メチル)(フェニル)[(2,2,2-トリフルオロアセチル)オキシ]スルファニウム
- ({[(2H-1,3-benzodioxol-5-yl)methyl](3-methoxyphenyl)carbamoyl}methyl)(phenyl)[(2,2,2-trifluoroacetyl)oxy]sulfanium
- Phenyl(trifluoroacetoxy)[2-[3-methoxyphenyl(1,3-benzodioxole-5-ylmethyl)amino]-2-oxoethyl]sulfonium
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