Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Petunidin chloride	1429-30-7	73386

Structure

Other Information

Canonical SMILES	COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]
Iso SMILES	COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]
InChI	InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H
InChI Key	QULMBDNPZCFSPR-UHFFFAOYSA-N
Formula	C16H13ClO7
Mol Weight	352.723
XlogP3	0
Charge	0

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Synonyms Information

CAS Name	2-(3,4-dihydroxy-5-methoxyphenyl)-1-benzopyrylium-3,5,7-triol chloride
IUPAC Name	2-(3,4-dihydroxy-5-methoxy-phenyl)chromenylium-3,5,7-triol chloride
Openeye Name	2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol chloride
Systematic Name	2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol chloride
Tratitional Name	2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol chloride