Chem
J-GLOBAL ID：200907097653465576
Nikkaji number：J2.642.274D
4,4′-[(1S,2S)-1,2-Dimethoxyethylene]bisbenzoic acid
4,4′-[(1S,2S)-1,2-ジメトキシエチレン]ビス安息香酸
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： C18H18O6
Molecular formula furigana： C18-H18-O6
Molecular weight： 330.336
InChI：
InChI=1S/C18H18O6/c1-23-15(11-3-7-13(8-4-11)17(19)20)16(24-2)12-5-9-14(10-6-12)18(21)22/h3-10,15-16H,1-2H3,(H,19,20)(H,21,22)/t15-,16-/m0/s1
InChI key：
GSOPQDDCZNBCES-HOTGVXAUSA-N
SMILES：
CO[C@H]([C@@H](OC)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
Systematic name (3)：
- 4,4′-[(1S,2S)-1,2-ジメトキシエチレン]ビス安息香酸
- 4-[(1S,2S)-2-(4-カルボキシフェニル)-1,2-ジメトキシエチル]安息香酸
- 4-[(1S,2S)-2-(4-carboxyphenyl)-1,2-dimethoxyethyl]benzoic acid
- 4,4′-[(1S,2S)-1,2-Dimethoxyethylene]bisbenzoic acid
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