Chem
J-GLOBAL ID：201707013465736442
Nikkaji number：J3.645.413J
2β,2′β-Dimethyl-3,3′-(hexafluorocyclopentane-1,2-diylidene)-2,2′,3,3′-tetrahydro-2,2′-bithiophene-5,5′-dicarboxylic acid
2β,2′β-ジメチル-3,3′-(ヘキサフルオロシクロペンタン-1,2-ジイリデン)-2,2′,3,3′-テトラヒドロ-2,2′-ビチオフェン-5,5′-ジカルボン酸
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： C17H10F6O4S2
Molecular formula furigana： C17-H10-F6-O4-S2
Molecular weight： 456.370
InChI：
InChI=1S/C17H10F6O4S2/c1-13-5(3-7(28-13)11(24)25)9-10(16(20,21)17(22,23)15(9,18)19)6-4-8(12(26)27)29-14(6,13)2/h3-4H,1-2H3,(H,24,25)(H,26,27)/t13-,14-/m0/s1
InChI key：
SBAKKQKNINUASA-KBPBESRZSA-N
SMILES：
C[C@]12SC(=CC1=C1C(=C3C=C(S[C@]23C)C(=O)O)C(F)(F)C(F)(F)C1(F)F)C(=O)O
Systematic name (2)：
- (8aS)-8aβ,8bα-ジメチル-9,9,10,10,11,11-ヘキサフルオロ-4,5-プロパノ-8a,8b-ジヒドロベンゾ[2,1-b:3,4-b′]ジチオフェン-2,7-ジカルボン酸
- 2β,2′β-ジメチル-3,3′-(ヘキサフルオロシクロペンタン-1,2-ジイリデン)-2,2′,3,3′-テトラヒドロ-2,2′-ビチオフェン-5,5′-ジカルボン酸
- (8aS)-8aβ,8bα-Dimethyl-9,9,10,10,11,11-hexafluoro-4,5-propano-8a,8b-dihydrobenzo[2,1-b:3,4-b′]dithiophene-2,7-dicarboxylic acid
- 2β,2′β-Dimethyl-3,3′-(hexafluorocyclopentane-1,2-diylidene)-2,2′,3,3′-tetrahydro-2,2′-bithiophene-5,5′-dicarboxylic acid
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