Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Malvidin chloride 643-84-5 69512
Structure Other Information
Canonical SMILES COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]
Iso SMILES COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]
InChI InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H
InChI Key KQIKOUUKQBTQBE-UHFFFAOYSA-N
Formula C17H15ClO7
Mol Weight 366.75
XlogP3 0
Charge 0

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Synonyms Information
CAS Name 2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3,5,7-triol chloride
IUPAC Name 2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3,5,7-triol chloride
Openeye Name 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol chloride
Systematic Name 2-(3,5-dimethoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol chloride
Tratitional Name 2-(3,5-dimethoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol chloride