CAS 91662-51-0 Phosphonium, ((2E)-5-((4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-2-penten-4-ynyl)triphenyl-, chloride (HCID 10896556)

基本情報

CAS: 91662-51-0
標準SMILES: CC1=C(C#C/C(C)=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)C[C@H](O)C1.[Cl-]
InChIKey: NIWSNNABXGQURD-AWSMNZDWSA-M
分子式: C33H36ClOP
平均分子量: 515.1 g/mol
単同位体質量: 514.2192305

名称と識別子

優先名称: Phosphonium, ((2E)-5-((4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-2-penten-4-ynyl)triphenyl-, chloride
IUPAC: [(E)-5-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-2-en-4-ynyl]-triphenylphosphanium chloride

名称と別名

Phosphonium, ((2E)-5-((4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-2-penten-4-ynyl)triphenyl-, chloridePhosphonium, [(2E)-5-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methyl-2-penten-4-ynyl]triphenyl-, chlorideRefChem:862265SCHEMBL8328381NIWSNNABXGQURD-AWSMNZDWSA-MDTXSID301377768(4R,2E)-[5-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-2-penten-4-ynyl]triphenylphosphonium chloride91662-51-0Phosphonium, [(2E)-5-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methyl-2-penten-4-ynyl]triphenyl-, chloride;Zeanyne salt

データベース識別子

CAS: 91662-51-0
PubChem CID: 10896556
DTXSID: DTXSID301377768

物性

構造計算による物性

極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 7
重原子数: 36
形式電荷: 0
複雑度: 785

化合物ノート

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