Chem
J-GLOBAL ID:200907077994781548
Nikkaji number:J1.995.722E
1-Heptyl-4-(3,4,4-trifluoro-3-butenyl)-1H-1,2,4-triazole-4-ium
1-ヘプチル-4-(3,4,4-トリフルオロ-3-ブテニル)-1H-1,2,4-トリアゾール-4-イウム
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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:
C13 H21 F3 N2 [N+]
Molecular formula furigana:
C13-H21-F3-N3
Molecular weight:
276.327
InChI:
InChI=1S/C13H21F3N3/c1-2-3-4-5-6-8-19-11-18(10-17-19)9-7-12(14)13(15)16/h10-11H,2-9H2,1H3/q+1
InChI key:
JVNAVHBPMKMDMW-UHFFFAOYSA-N
SMILES:
CCCCCCCn1c[n+](CCC(=C(F)F)F)cn1
Systematic name (3):
1-ヘプチル-4-(3,4,4-トリフルオロ-3-ブテニル)-1H-1,2,4-トリアゾール-4-イウム
1-ヘプチル-4-(3,4,4-トリフルオロブタ-3-エン-1-イル)-1H-1,2,4-トリアゾール-4-イウム
1-heptyl-4-(3,4,4-trifluorobut-3-en-1-yl)-1H-1,2,4-triazol-4-ium
Other name (1):
1-Heptyl-4-(3,4,4-trifluoro-3-butenyl)-1H-1,2,4-triazole-4-ium
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