Chem
J-GLOBAL ID：200907000627876165
Nikkaji number：J1.761.023F
3-Bromo-5,5′-trimethylene[1,1′-(cyclobutane-1,2-diyl)bis(2-methoxybenzene)]
3-ブロモ-5,5′-トリメチレン[1,1′-(シクロブタン-1,2-ジイル)ビス(2-メトキシベンゼン)]
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： C21H23BrO2
Molecular formula furigana： C21-H23-BR-O2
Molecular weight： 387.317
InChI：
InChI=1S/C21H23BrO2/c1-23-20-9-6-13-4-3-5-14-11-18(21(24-2)19(22)12-14)16-8-7-15(16)17(20)10-13/h6,9-12,15-16H,3-5,7-8H2,1-2H3
InChI key：
JOSAMRKYERKWOI-UHFFFAOYSA-N
SMILES：
COc1ccc2CCCc3cc(Br)c(OC)c(c3)C3CCC3c1c2
Systematic name (3)：
- 3-ブロモ-5,5′-トリメチレン[1,1′-(シクロブタン-1,2-ジイル)ビス(2-メトキシベンゼン)]
- 8-ブロモ-7,17-ジメトキシテトラシクロ[12.3.1.16,10.02,5]ノナデカ-1(18),6(19),7,9,14,16-ヘキサエン
- 8-bromo-7,17-dimethoxytetracyclo[12.3.1.16,10.02,5]nonadeca-1(18),6(19),7,9,14,16-hexaene
- 3-Bromo-5,5′-trimethylene[1,1′-(cyclobutane-1,2-diyl)bis(2-methoxybenzene)]
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