Chem
J-GLOBAL ID：200907047654553870
Nikkaji number：J2.190.551H
[4-(Methoxycarbonyl)phenyl](3,8-dimethyl-5-isopropylazulene-1-yl)methylium
[4-(メトキシカルボニル)フェニル](3,8-ジメチル-5-イソプロピルアズレン-1-イル)メチリウム
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： C23[C+]H25O2
Molecular formula furigana： C24-H25-O2
Molecular weight： 345.461
InChI：
InChI=1S/C24H25O2/c1-15(2)20-9-6-16(3)23-21(12-17(4)22(23)14-20)13-18-7-10-19(11-8-18)24(25)26-5/h6-15H,1-5H3/q+1
InChI key：
LVHIOBNVHNCRET-UHFFFAOYSA-N
SMILES：
COC(=O)c1ccc([CH+]c2cc(C)c3cc(ccc(C)c23)C(C)C)cc1
Systematic name (3)：
- [4-(メトキシカルボニル)フェニル](3,8-ジメチル-5-イソプロピルアズレン-1-イル)メチリウム
- [3,8-ジメチル-5-(プロパン-2-イル)アズレン-1-イル][4-(メトキシカルボニル)フェニル]メチリウム
- [3,8-dimethyl-5-(propan-2-yl)azulen-1-yl][4-(methoxycarbonyl)phenyl]methylium
- [4-(Methoxycarbonyl)phenyl](3,8-dimethyl-5-isopropylazulene-1-yl)methylium
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