1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, hydrate (1:1:1)

CAS Registry Number®

6013-58-7
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CAS Name

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, hydrate (1:1:1)

Molecular Formula

C15H11O6.Cl.H2O

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, hydrate (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6013-58-7 (retrieved 2024-09-20) (CAS RN: 6013-58-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H10O6.ClH.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;;/h1-6H,(H4-,16,17,18,19,20);1H;1H2

InChIKey

InChIKey=ROFFNEFHTNKURQ-UHFFFAOYSA-N

SMILES

OC=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3.[Cl-].O

Canonical SMILES

[Cl-].O.OC=1C=C(O)C=2C=C(O)C(=[O+]C2C1)C=3C=CC(O)=C(O)C3

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, hydrate (1:1:1)
  • Flavylium, 3,3′,4′,5,7-pentahydroxy-, chloride, monohydrate
  • 1-Benzopyrylium, 1-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, monohydrate
  • Cyanidin chloride monohydrate