Chem
J-GLOBAL ID：200907044539062910
Nikkaji number：J2.210.903K
(5S)-5-Phenyl-6,6,7,7,8,8-hexafluoro-5,6,7,8-tetrahydrospiro[4H-indeno[4,5-b]thiophene-4,8′-adamantane]
(5S)-5-フェニル-6,6,7,7,8,8-ヘキサフルオロ-5,6,7,8-テトラヒドロスピロ[4H-インデノ[4,5-b]チオフェン-4,8′-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： C26H22F6S
Molecular formula furigana： C26-H22-F6-S
Molecular weight： 480.510
InChI：
InChI=1S/C26H22F6S/c27-24(28)20-19(15-4-2-1-3-5-15)23(16-9-13-8-14(11-16)12-17(23)10-13)18-6-7-33-22(18)21(20)25(29,30)26(24,31)32/h1-7,13-14,16-17,19H,8-12H2/t13-,14+,16-,17?,19-,23?/m1/s1
InChI key：
ALKHRCYJSYBJJZ-DOALOFMYSA-N
SMILES：
FC1(F)C2=C(c3sccc3C3(C4C[C@@H]5C[C@@H](C[C@H]3C5)C4)[C@@H]2c2ccccc2)C(F)(F)C1(F)F
Systematic name (3)：
- (5S)-5-フェニル-6,6,7,7,8,8-ヘキサフルオロ-5,6,7,8-テトラヒドロスピロ[4H-インデノ[4,5-b]チオフェン-4,8′-アダマンタン]
- (3r,5S,5'S,7R)-6',6',7',7',8',8'-ヘキサフルオロ-5'-フェニル-5',6',7',8'-テトラヒドロスピロ[アダマンタン-2,4'-インデノ[4,5-b]チオフェン]
- (3r,5S,5'S,7R)-6',6',7',7',8',8'-hexafluoro-5'-phenyl-5',6',7',8'-tetrahydrospiro[adamantane-2,4'-indeno[4,5-b]thiophene]
- (5S)-5-Phenyl-6,6,7,7,8,8-hexafluoro-5,6,7,8-tetrahydrospiro[4H-indeno[4,5-b]thiophene-4,8′-adamantane]
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