Chem
J-GLOBAL ID:201507040377748610
Nikkaji number:J3.338.722I
2α-[4-(Trifluoromethyl)phenylethynyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-1α-ol
2α-[4-(トリフルオロメチル)フェニルエチニル]-6,7-ジメチル-1,2,3,4-テトラヒドロナフタレン-1α-オール
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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:
C21 H19 F3 O
Molecular formula furigana:
C21-H19-F3-O
Molecular weight:
344.377
InChI:
InChI=1S/C21H19F3O/c1-13-11-17-8-7-16(20(25)19(17)12-14(13)2)6-3-15-4-9-18(10-5-15)21(22,23)24/h4-5,9-12,16,20,25H,7-8H2,1-2H3/t16-,20-/m1/s1
InChI key:
ABYUHGOUPSXYOR-OXQOHEQNSA-N
SMILES:
Cc1cc2CC[C@@H](C#Cc3ccc(cc3)C(F)(F)F)[C@@H](O)c2cc1C
Systematic name (3):
2α-[4-(トリフルオロメチル)フェニルエチニル]-6,7-ジメチル-1,2,3,4-テトラヒドロナフタレン-1α-オール
(1R,2S)-6,7-ジメチル-2-{2-[4-(トリフルオロメチル)フェニル]エチニル}-1,2,3,4-テトラヒドロナフタレン-1-オール
(1R,2S)-6,7-dimethyl-2-{2-[4-(trifluoromethyl)phenyl]ethynyl}-1,2,3,4-tetrahydronaphthalen-1-ol
Other name (1):
2α-[4-(Trifluoromethyl)phenylethynyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-1α-ol
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