Chem
J-GLOBAL ID：201707015171348714   Nikkaji number：J3.607.574K

2,8-Dimethyl-3,9-bis[[3,5-dimethyl-4-(octyloxy)phenyl]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-(オクチルオキシ)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： C49H66N6O2
Molecular formula furigana： C49-H66-N6-O2
Molecular weight： 771.107
InChI： InChI=1S/C49H66N6O2/c1-9-11-13-15-17-19-21-56-48-36(5)25-42(26-37(48)6)50-52-44-29-46-40(23-34(44)3)31-55-33-54(46)32-41-24-35(4)45(30-47(41)55)53-51-43-27-38(7)49(39(8)28-43)57-22-20-18-16-14-12-10-2/h23-30H,9-22,31-33H2,1-8H3
InChI key： SRWDBLNCJOAVDC-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1c(C)cc(cc1C)N=Nc1cc2N3CN(Cc2cc1C)c1cc(N=Nc2cc(C)c(OCCCCCCCC)c(C)c2)c(C)cc1C3
Systematic name  (3)：
  • 2,8-ジメチル-3,9-ビス[[3,5-ジメチル-4-(オクチルオキシ)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
  • 4,12-ビス({2-[3,5-ジメチル-4-(オクチルオキシ)フェニル]ジアゼン-1-イル})-5,13-ジメチル-1,9-ジアザテトラシクロ[7.7.1.02,7.010,15]ヘプタデカ-2,4,6,10(15),11,13-ヘキサエン
  • 4,12-bis({2-[3,5-dimethyl-4-(octyloxy)phenyl]diazen-1-yl})-5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene
Other name (1)：
  • 2,8-Dimethyl-3,9-bis[[3,5-dimethyl-4-(octyloxy)phenyl]azo]-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine
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