Chem
J-GLOBAL ID：200907002562509570
Nikkaji number：J2.297.439D
1-Hexyl-3,3-dimethyl-2-[β-cyano-4-[(malononitrile-2-ide)-2-yl]styryl]-3H-indole-1-ium
4-[1-シアノ-2-[(1-ヘキシル-3,3-ジメチル-3H-インドール-1-イウム)-2-イル]エテニル]フェニルジシアノメタニド
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： C27[C-]H28N3[N+]
Molecular formula furigana： C28-H28-N4
Molecular weight： 420.560
InChI：
InChI=1S/C28H28N4/c1-4-5-6-9-16-32-26-11-8-7-10-25(26)28(2,3)27(32)17-23(18-29)21-12-14-22(15-13-21)24(19-30)20-31/h7-8,10-15,17H,4-6,9,16H2,1-3H3
InChI key：
ZHIDEGZRILJZFO-UHFFFAOYSA-N
SMILES：
CCCCCC[N+]1=C(C=C(C#N)c2ccc(cc2)[C-](C#N)C#N)C(C)(C)c2ccccc12
Systematic name (5)：
- 4-[1-シアノ-2-[(1-ヘキシル-3,3-ジメチル-3H-インドール-1-イウム)-2-イル]エテニル]フェニルジシアノメタニド
- 4-[2-[(1-ヘキシル-3,3-ジメチル-3H-インドール-1-イウム)-2-イル]-1-シアノビニル]フェニルマロノニトリル-2-イド
- 1-ヘキシル-3,3-ジメチル-2-[β-シアノ-4-[(マロノニトリル-2-イド)-2-イル]スチリル]-3H-インドール-1-イウム
- ジシアノ({4-[1-シアノ-2-(1-ヘキシル-3,3-ジメチル-3H-インドール-1-イウム-2-イル)エタ-1-エン-1-イル]フェニル})メタニド
- dicyano({4-[1-cyano-2-(1-hexyl-3,3-dimethyl-3H-indol-1-ium-2-yl)eth-1-en-1-yl]phenyl})methanide
- 4-[1-Cyano-2-[(1-hexyl-3,3-dimethyl-3H-indole-1-ium)-2-yl]ethenyl]phenyldicyanomethanide
- 4-[2-[(1-Hexyl-3,3-dimethyl-3H-indole-1-ium)-2-yl]-1-cyanovinyl]phenylmalononitrile-2-ide
- 1-Hexyl-3,3-dimethyl-2-[β-cyano-4-[(malononitrile-2-ide)-2-yl]styryl]-3H-indole-1-ium
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