Chem
J-GLOBAL ID:201107087917468270
Nikkaji number:J2.920.373C
(6R)-6β-[4-(Trifluoromethyl)phenyl]-7,7-dimethyl-2,6,7,7aβ-tetrahydro-1H-indene-2,2-dicarboxylic acid dimethyl ester
(6R)-6β-[4-(トリフルオロメチル)フェニル]-7,7-ジメチル-2,6,7,7aβ-テトラヒドロ-1H-インデン-2,2-ジカルボン酸ジメチル
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Substance type:
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
Molecular formula:
C22 H23 F3 O4
Molecular formula furigana:
C22-H23-F3-O4
Molecular weight:
408.417
InChI:
InChI=1S/C22H23F3O4/c1-20(2)16(13-5-8-15(9-6-13)22(23,24)25)10-7-14-11-21(12-17(14)20,18(26)28-3)19(27)29-4/h5-11,16-17H,12H2,1-4H3/t16-,17+/m0/s1
InChI key:
JAIAPTYIVACFQN-DLBZAZTESA-N
SMILES:
COC(=O)C1(C[C@@H]2C(=C1)C=C[C@@H](c1ccc(cc1)C(F)(F)F)C2(C)C)C(=O)OC
Systematic name (3):
(6R)-6β-[4-(トリフルオロメチル)フェニル]-7,7-ジメチル-2,6,7,7aβ-テトラヒドロ-1H-インデン-2,2-ジカルボン酸ジメチル
2,2-ジメチル (6R,7aS)-7,7-ジメチル-6-[4-(トリフルオロメチル)フェニル]-2,6,7,7a-テトラヒドロ-1H-インデン-2,2-ジカルボキシラート
2,2-dimethyl (6R,7aS)-7,7-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,6,7,7a-tetrahydro-1H-indene-2,2-dicarboxylate
Other name (1):
(6R)-6β-[4-(Trifluoromethyl)phenyl]-7,7-dimethyl-2,6,7,7aβ-tetrahydro-1H-indene-2,2-dicarboxylic acid dimethyl ester
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