cis-Chlorogenic acid
CAS Registry Number®
15016-60-1
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CAS Name
cis-Chlorogenic acidMolecular Formula
C16H18O9Molecular Mass
354.31Cite this Page
cis-Chlorogenic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=15016-60-1 (retrieved ) (CAS RN: 15016-60-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14-,16+/m1/s1
InChIKey
InChIKey=CWVRJTMFETXNAD-XYXZIBEBSA-N
SMILES
O(C(/C=C\C1=CC(O)=C(O)C=C1)=O)[C@@H]2C[C@@](C(O)=O)(O)C[C@@H](O)[C@H]2O
Canonical SMILES
O=C(O)C1(O)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1
Other Names for this Substance
- Cyclohexanecarboxylic acid, 3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
- Chlorogenic acid, (Z)-
- Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-[1α,3β(Z),4α,5α]]-
- Cyclohexanecarboxylic acid, 3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
- (1S,3R,4R,5R)-3-[[(2Z)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
Deleted or Replaced CAS Registry Numbers
82690-55-9, 2087491-40-3
