Chem
J-GLOBAL ID：200907021071626471
Nikkaji number：J2.210.906E
1,1,2,2,3,3-Hexafluoro-4-phenyl-6-methoxy-2,3-dihydrospiro[1H-benzo[e]indene-5(4H),8′-adamantane]
1,1,2,2,3,3-ヘキサフルオロ-4-フェニル-6-メトキシ-2,3-ジヒドロスピロ[1H-ベンゾ[e]インデン-5(4H),8′-アダマンタン]
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： C29H26F6O
Molecular formula furigana： C29-H26-F6-O
Molecular weight： 504.516
InChI：
InChI=1S/C29H26F6O/c1-36-21-9-5-8-20-23(21)26(18-11-15-10-16(13-18)14-19(26)12-15)22(17-6-3-2-4-7-17)25-24(20)27(30,31)29(34,35)28(25,32)33/h2-9,15-16,18-19,22H,10-14H2,1H3/t15-,16+,18-,19+,22?,26?
InChI key：
ZQRGGBAMWWIVFZ-IPEGGJSOSA-N
SMILES：
COc1cccc2C3=C(C(c4ccccc4)C4([C@H]5C[C@@H]6C[C@@H](C[C@H]4C6)C5)c12)C(F)(F)C(F)(F)C3(F)F
Systematic name (3)：
- 1,1,2,2,3,3-ヘキサフルオロ-4-フェニル-6-メトキシ-2,3-ジヒドロスピロ[1H-ベンゾ[e]インデン-5(4H),8′-アダマンタン]
- (1r,3r,5r,7r)-1',1',2',2',3',3'-ヘキサフルオロ-6'-メトキシ-4'-フェニル-1',2',3',4'-テトラヒドロスピロ[アダマンタン-2,5'-シクロペンタ[a]ナフタレン]
- (1r,3r,5r,7r)-1',1',2',2',3',3'-hexafluoro-6'-methoxy-4'-phenyl-1',2',3',4'-tetrahydrospiro[adamantane-2,5'-cyclopenta[a]naphthalene]
- 1,1,2,2,3,3-Hexafluoro-4-phenyl-6-methoxy-2,3-dihydrospiro[1H-benzo[e]indene-5(4H),8′-adamantane]
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