Chem
J-GLOBAL ID：200907030081214154   Nikkaji number：J982.724B

4-Phenyl-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-フェニル-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： C40H45NO2[O-][S+]
Molecular formula furigana： C40-H45-N-O3-S
Molecular weight： 619.860
InChI： InChI=1S/C40H45NO3S/c42-37-35-36(38(43)41(37)32-24-16-11-17-25-32)40-27-19-8-6-4-2-1-3-5-7-18-26-39(35,45(40)44)33(28-30-20-12-9-13-21-30)34(40)29-31-22-14-10-15-23-31/h9-17,20-25,35-36H,1-8,18-19,26-29H2
InChI key： BUVCXEDXYJWWGQ-UHFFFAOYSA-N
SMILES： [O-][S+]1C23CCCCCCCCCCCCC1(C1C2C(=O)N(C1=O)c1ccccc1)C(=C3Cc1ccccc1)Cc1ccccc1
Systematic name  (3)：
  • 4-フェニル-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-16,18-ジオキソ-17-フェニル-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-16,18-dioxo-17-phenyl-22-thia-17-azatetracyclo[12.5.2.11,14.015,19]docos-20-en-22-ium-22-olate
Other name (1)：
  • 4-Phenyl-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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