Chem
J-GLOBAL ID：200907064686776792   Nikkaji number：J259.447A

Bis[(S)-α-methyl-3-phenoxybenzeneacetic acid]calcium salt

ビス[(S)-α-メチル-3-フェノキシベンゼン酢酸]カルシウム
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： C30H26CaO6
Molecular formula furigana： C30-H26-CA-O6
Molecular weight： 522.610
InChI： InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2/t2*11-;/m00./s1
InChI key： VHUXSAWXWSTUOD-ISAZSYCMSA-L
SMILES： C[C@H](C(=O)O[Ca]OC(=O)[C@@H](C)c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1
Systematic name  (3)：
  • ビス[(S)-α-メチル-3-フェノキシベンゼン酢酸]カルシウム
  • {[(2S)-2-(3-フェノキシフェニル)プロパノイル]オキシ}カルシオ (2S)-2-(3-フェノキシフェニル)プロパノアート
  • {[(2S)-2-(3-phenoxyphenyl)propanoyl]oxy}calcio (2S)-2-(3-phenoxyphenyl)propanoate
Other name (1)：
  • Bis[(S)-α-methyl-3-phenoxybenzeneacetic acid]calcium salt
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