Chem
J-GLOBAL ID：201707006197930226   Nikkaji number：J3.607.571F

2,8-Dimethyl-3,9-bis[(3,5-dimethyl-4-butoxyphenyl)azo]-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine

2,8-ジメチル-3,9-ビス[(3,5-ジメチル-4-ブトキシフェニル)アゾ]-5,6,11,12-テトラヒドロ-5,11-メタノジベンゾ[b,f][1,5]ジアゾシン
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： C41H50N6O2
Molecular formula furigana： C41-H50-N6-O2
Molecular weight： 658.891
InChI： InChI=1S/C41H50N6O2/c1-9-11-13-48-40-28(5)17-34(18-29(40)6)42-44-36-21-38-32(15-26(36)3)23-47-25-46(38)24-33-16-27(4)37(22-39(33)47)45-43-35-19-30(7)41(31(8)20-35)49-14-12-10-2/h15-22H,9-14,23-25H2,1-8H3
InChI key： IDWMLHAKDHIBLE-UHFFFAOYSA-N
SMILES： CCCCOc1c(C)cc(cc1C)N=Nc1cc2N3CN(Cc2cc1C)c1cc(N=Nc2cc(C)c(OCCCC)c(C)c2)c(C)cc1C3
Systematic name  (1)：
  • 2,8-ジメチル-3,9-ビス[(3,5-ジメチル-4-ブトキシフェニル)アゾ]-5,6,11,12-テトラヒドロ-5,11-メタノジベンゾ[b,f][1,5]ジアゾシン
Other name (1)：
  • 2,8-Dimethyl-3,9-bis[(3,5-dimethyl-4-butoxyphenyl)azo]-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine
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