Chem
J-GLOBAL ID：200907007326997492
Nikkaji number：J1.449.575D
6,6′′-Methylene-6′,6′′′-methylenebis(2,2′-tetramethylene-4,4′-pentamethylenebisphenol)
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′-ペンタ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： C44H52O4
Molecular formula furigana： C44-H52-O4
Molecular weight： 644.896
InChI：
InChI=1S/C44H52O4/c45-41-33-15-7-8-16-34-20-30-12-4-1-3-11-29(19-33)23-37(41)27-39-25-31-13-5-2-6-14-32-22-36(18-10-9-17-35(21-31)43(39)47)44(48)40(26-32)28-38(24-30)42(34)46/h19-26,45-48H,1-18,27-28H2
InChI key：
WADNCCPHECRGQR-UHFFFAOYSA-N
SMILES：
Oc1c2CCCCc3cc4CCCCCc(c2)cc1Cc1cc2CCCCCc5cc(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′-ペンタメチレンビスフェノール)
- ヘプタシクロ[21.9.4.47,17.13,31.15,9.115,19.121,25]テトラテトラコンタ-1,3(37),5,7,9(44),15,17,19(39),21(38),22,24,31-ドデカエン-2,6,18,22-テトラオール
- heptacyclo[21.9.4.47,17.13,31.15,9.115,19.121,25]tetratetraconta-1,3(37),5,7,9(44),15,17,19(39),21(38),22,24,31-dodecaene-2,6,18,22-tetrol
- 6,6′′-Methylene-6′,6′′′-methylenebis(2,2′-tetramethylene-4,4′-pentamethylenebisphenol)
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