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Substance Name: Butanedioic acid, 2,3-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (R*,S*-(E,E))-
RN: 133520-29-3
InChIKey: YDDGKXBLOXEEMN-XAKUNQSDSA-N

Molecular Formula

  • C22-H18-O12

Molecular Weight

  • 474.3722
 
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Names and Synonyms

Synonyms

  • (2S,1R)-1,2-Bis(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)ethane-1,2-dicarboxylic acid
  • Chicoric acid, meso form
  • Dicaffeoyltartaric acid, meso form
  • meso-DCTA

Systematic Name

  • Butanedioic acid, 2,3-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (R*,S*-(E,E))-

Registry Numbers

CAS Registry Number

  • 133520-29-3

System Generated Number

  • 0133520293

Structure Descriptors

InChI

1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+

InChIKey

YDDGKXBLOXEEMN-XAKUNQSDSA-N

Smiles

c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O