Chem
J-GLOBAL ID：201007031671925126
Nikkaji number：J2.887.876A
2-[(5-Chloro-1,3,3-trimethylindoline-2-ylidene)methyl]-4-(5-hydroxy-3-propyl-1-phenyl-1H-pyrazole-4-yl)-1,3-dioxylatocyclobutane-1,3-diylium
2-[(5-クロロ-1,3,3-トリメチルインドリン-2-イリデン)メチル]-4-(5-ヒドロキシ-3-プロピル-1-フェニル-1H-ピラゾール-4-イル)-1,3-ジオキシラトシクロブタン-1,3-ジイリウム
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： C26[C+]2H28ClN3O[O-]2
Molecular formula furigana： C28-H28-CL-N3-O3
Molecular weight： 490.000
InChI：
InChI=1S/C28H28ClN3O3/c1-5-9-20-23(27(35)32(30-20)17-10-7-6-8-11-17)24-25(33)18(26(24)34)15-22-28(2,3)19-14-16(29)12-13-21(19)31(22)4/h6-8,10-15,18,24,35H,5,9H2,1-4H3
InChI key：
ZNLKBCITXSFNNC-UHFFFAOYSA-N
SMILES：
CCCc1nn(c(O)c1C1[C+]([O-])C(C=C2N(C)c3ccc(Cl)cc3C2(C)C)[C+]1[O-])c1ccccc1
Systematic name (3)：
- 2-[(5-クロロ-1,3,3-トリメチルインドリン-2-イリデン)メチル]-4-(5-ヒドロキシ-3-プロピル-1-フェニル-1H-ピラゾール-4-イル)-1,3-ジオキシラトシクロブタン-1,3-ジイリウム
- 2-[(5-クロロ-1,3,3-トリメチル-2,3-ジヒドロ-1H-インドール-2-イリデン)メチル]-4-(5-ヒドロキシ-1-フェニル-3-プロピル-1H-ピラゾール-4-イル)シクロブタン-1,3-ビス(イリウム)-1,3-ビス(オラート)
- 2-[(5-chloro-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)methyl]-4-(5-hydroxy-1-phenyl-3-propyl-1H-pyrazol-4-yl)cyclobutane-1,3-bis(ylium)-1,3-bis(olate)
- 2-[(5-Chloro-1,3,3-trimethylindoline-2-ylidene)methyl]-4-(5-hydroxy-3-propyl-1-phenyl-1H-pyrazole-4-yl)-1,3-dioxylatocyclobutane-1,3-diylium
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