Chem
J-GLOBAL ID：200907072146377018   Nikkaji number：J982.723D

4-Methyl-8,9-dibenzyl-1,7-(1,12-dodecanediyl)-4-aza-10-thiatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione 10-oxide

4-メチル-8,9-ジベンジル-1,7-(1,12-ドデカンジイル)-4-アザ-10-チアトリシクロ[5.2.1.02,6]デカ-8-エン-3,5-ジオン10-オキシド
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： C35H43NO2[O-][S+]
Molecular formula furigana： C35-H43-N-O3-S
Molecular weight： 557.790
InChI： InChI=1S/C35H43NO3S/c1-36-32(37)30-31(33(36)38)35-23-17-9-7-5-3-2-4-6-8-16-22-34(30,40(35)39)28(24-26-18-12-10-13-19-26)29(35)25-27-20-14-11-15-21-27/h10-15,18-21,30-31H,2-9,16-17,22-25H2,1H3
InChI key： BGCDXWWDSMJBLY-UHFFFAOYSA-N
SMILES： CN1C(=O)C2C(C1=O)C13CCCCCCCCCCCCC2([S+]1[O-])C(=C3Cc1ccccc1)Cc1ccccc1
Systematic name  (3)：
  • 4-メチル-8,9-ジベンジル-1,7-(1,12-ドデカンジイル)-4-アザ-10-チアトリシクロ[5.2.1.02,6]デカ-8-エン-3,5-ジオン10-オキシド
  • 20,21-ジベンジル-17-メチル-16,18-ジオキソ-22-チア-17-アザテトラシクロ[12.5.2.11,14.015,19]ドコサ-20-エン-22-イウム-22-オラート
  • 20,21-dibenzyl-17-methyl-16,18-dioxo-22-thia-17-azatetracyclo[12.5.2.11,14.015,19]docos-20-en-22-ium-22-olate
Other name (1)：
  • 4-Methyl-8,9-dibenzyl-1,7-(1,12-dodecanediyl)-4-aza-10-thiatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione 10-oxide
Thsaurus map：
Thesaurus Map

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