Chem
J-GLOBAL ID：201707016239987199   Nikkaji number：J3.623.828C

4′-[12-[3,8,9,14,15-Pentakis(tetradecyloxy)-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i]cyclododecene-2-yloxy]dodecyloxy]azobenzene-3,5-dicarboxylic acid

4′-[12-[3,8,9,14,15-ペンタキス(テトラデシルオキシ)-5,6,11,12,17,18-ヘキサデヒドロトリベンゾ[a,e,i]シクロドデセン-2-イルオキシ]ドデシルオキシ]アゾベンゼン-3,5-ジカルボン酸
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： C120H184N2O11
Molecular formula furigana： C120-H184-N2-O11
Molecular weight： 1830.795
InChI： InChI=1S/C120H184N2O11/c1-6-11-16-21-26-31-36-41-49-56-63-70-87-128-113-96-102-76-77-103-97-114(129-88-71-64-57-50-42-37-32-27-22-17-12-7-2)116(131-90-73-66-59-52-44-39-34-29-24-19-14-9-4)99-105(103)80-81-107-101-118(133-92-75-68-61-54-47-46-48-55-62-69-86-127-112-84-82-110(83-85-112)121-122-111-94-108(119(123)124)93-109(95-111)120(125)126)117(132-91-74-67-60-53-45-40-35-30-25-20-15-10-5)100-106(107)79-78-104(102)98-115(113)130-89-72-65-58-51-43-38-33-28-23-18-13-8-3/h82-85,93-101H,6-75,86-92H2,1-5H3,(H,123,124)(H,125,126)
InChI key： QQYGOWYWPFKNDN-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCOc1cc2C#Cc3cc(OCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCC)cc3C#Cc3cc(OCCCCCCCCCCCCOc4ccc(cc4)N=Nc4cc(cc(c4)C(=O)O)C(=O)O)c(OCCCCCCCCCCCCCC)cc3C#Cc2cc1OCCCCCCCCCCCCCC
Systematic name  (3)：
  • 4′-[12-[3,8,9,14,15-ペンタキス(テトラデシルオキシ)-5,6,11,12,17,18-ヘキサデヒドロトリベンゾ[a,e,i]シクロドデセン-2-イルオキシ]ドデシルオキシ]アゾベンゼン-3,5-ジカルボン酸
  • 5-(2-{4-[(12-{[7,14,15,22,23-ペンタキス(テトラデシルオキシ)テトラシクロ[18.4.0.04,9.012,17]テトラコサ-1(24),4,6,8,12(17),13,15,20,22-ノナエン-2,10,18-トリイン-6-イル]オキシ}ドデシル)オキシ]フェニル}ジアゼン-1-イル)ベンゼン-1,3-ジカルボン酸
  • 5-(2-{4-[(12-{[7,14,15,22,23-pentakis(tetradecyloxy)tetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12(17),13,15,20,22-nonaen-2,10,18-triyn-6-yl]oxy}dodecyl)oxy]phenyl}diazen-1-yl)benzene-1,3-dicarboxylic acid
Other name (1)：
  • 4′-[12-[3,8,9,14,15-Pentakis(tetradecyloxy)-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i]cyclododecene-2-yloxy]dodecyloxy]azobenzene-3,5-dicarboxylic acid
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