Chem
J-GLOBAL ID：200907021324342203
Nikkaji number：J1.449.573H
6,6′′-Methylene-6′,6′′′-methylenebis(2,2′-tetramethylene-4,4′-hexamethylenebisphenol)
6,6′′-メチレン-6′,6′′′-メチレンビス(2,2′-テトラメチレン-4,4′-ヘキサメチレンビスフェノール)
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
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
Molecular formula： C46H56O4
Molecular formula furigana： C46-H56-O4
Molecular weight： 672.950
InChI：
InChI=1S/C46H56O4/c47-43-35-17-9-10-18-36-22-32-14-6-2-1-5-13-31(21-35)25-39(43)29-41-27-33-15-7-3-4-8-16-34-24-38(20-12-11-19-37(23-33)45(41)49)46(50)42(28-34)30-40(26-32)44(36)48/h21-28,47-50H,1-20,29-30H2
InChI key：
FDCQUAXZDSWZQR-UHFFFAOYSA-N
SMILES：
Oc1c2CCCCc3cc4CCCCCCc(c2)cc1Cc1cc2CCCCCCc5cc(CCCCc(c2)c1O)c(O)c(Cc(c4)c3O)c5
Systematic name (3)：
- 6,6′′-メチレン-6′,6′′′-メチレンビス(2,2′-テトラメチレン-4,4′-ヘキサメチレンビスフェノール)
- ヘプタシクロ[22.10.4.47,18.13,33.15,9.116,20.122,26]ヘキサテトラコンタ-1,3(39),5,7,9(46),16,18,20(41),22(40),23,25,33-ドデカエン-2,6,19,23-テトラオール
- heptacyclo[22.10.4.47,18.13,33.15,9.116,20.122,26]hexatetraconta-1,3(39),5,7,9(46),16,18,20(41),22(40),23,25,33-dodecaene-2,6,19,23-tetrol
- 6,6′′-Methylene-6′,6′′′-methylenebis(2,2′-tetramethylene-4,4′-hexamethylenebisphenol)
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