Chem
J-GLOBAL ID:201307050437323518
Nikkaji number:J3.210.984E
[1-Phenyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]malonic acid
[1-フェニル-3-オキソ-3-[4-(トリフルオロメチル)フェニル]プロピル]マロン酸
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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:
C19 H15 F3 O5
Molecular formula furigana:
C19-H15-F3-O5
Molecular weight:
380.319
InChI:
InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
InChI key:
MLJPLHGJBUWCBA-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(=O)O
Systematic name (3):
[1-フェニル-3-オキソ-3-[4-(トリフルオロメチル)フェニル]プロピル]マロン酸
2-{3-オキソ-1-フェニル-3-[4-(トリフルオロメチル)フェニル]プロピル}プロパン二酸
2-{3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid
Other name (1):
[1-Phenyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]malonic acid
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