Chem
J-GLOBAL ID：200907084962937518   Nikkaji number：J2.703.741K

1-Tosyl-4-[3-methoxy-7-cyanobicyclo[4.2.0]octa-1(6),2,4-triene-7-yl]butyl isocyanide

1-トシル-4-[3-メトキシ-7-シアノビシクロ[4.2.0]オクタ-1(6),2,4-トリエン-7-イル]ブチルイソシアニド
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[C-]H22N[N+]O3S
Molecular formula furigana： C22-H22-N2-O3-S
Molecular weight： 394.490
InChI： InChI=1S/C22H22N2O3S/c1-16-6-9-19(10-7-16)28(25,26)21(24-2)5-4-12-22(15-23)14-17-13-18(27-3)8-11-20(17)22/h6-11,13,21H,4-5,12,14H2,1,3H3
InChI key： USOHBGOCRZATQJ-UHFFFAOYSA-N
SMILES： COc1ccc2c(CC2(CCCC([N+]#[C-])S(=O)(=O)c2ccc(C)cc2)C#N)c1
Systematic name  (3)：
  • 1-トシル-4-[3-メトキシ-7-シアノビシクロ[4.2.0]オクタ-1(6),2,4-トリエン-7-イル]ブチルイソシアニド
  • 7-[4-イソシアノ-4-(4-メチルベンゼンスルホニル)ブチル]-3-メトキシビシクロ[4.2.0]オクタ-1,3,5-トリエン-7-カルボニトリル
  • 7-[4-isocyano-4-(4-methylbenzenesulfonyl)butyl]-3-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Other name (1)：
  • 1-Tosyl-4-[3-methoxy-7-cyanobicyclo[4.2.0]octa-1(6),2,4-triene-7-yl]butyl isocyanide
Thsaurus map：
Thesaurus Map

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