Chem
J-GLOBAL ID:200907050797840022   Nikkaji number:J1.266.257B

[(1Z,3S)-3-[(1E,3S)-3-Hydroxy-7-phenyl-1-heptenyl]cyclohexylidene]acetic acid sodium salt

[(1Z,3S)-3-[(1E,3S)-3-ヒドロキシ-7-フェニル-1-ヘプテニル]シクロヘキシリデン]酢酸ナトリウム
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: C21H27NaO3
Molecular formula furigana: C21-H27-NA-O3
Molecular weight: 350.434
InChI: InChI=1S/C21H28O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,13-14,16,18,20,22H,4-6,9-12,15H2,(H,23,24);/q;+1/p-1/b14-13+,19-16-;/t18-,20+;/m1./s1
InChI key: NPHQPSSZEVYMRK-IIWAZGBFSA-M
SMILES: O[C@@H](CCCCc1ccccc1)/C=C/[C@H]1CCC/C(=C/C(=O)O[Na])/C1
Systematic name  (3):
  • [(1Z,3S)-3-[(1E,3S)-3-ヒドロキシ-7-フェニル-1-ヘプテニル]シクロヘキシリデン]酢酸ナトリウム
  • ナトリウム 2-[(1Z,3S)-3-[(1E,3S)-3-ヒドロキシ-7-フェニルヘプタ-1-エン-1-イル]シクロヘキシリデン]アセタート
  • sodium 2-[(1Z,3S)-3-[(1E,3S)-3-hydroxy-7-phenylhept-1-en-1-yl]cyclohexylidene]acetate
Other name (1):
  • [(1Z,3S)-3-[(1E,3S)-3-Hydroxy-7-phenyl-1-heptenyl]cyclohexylidene]acetic acid sodium salt
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