Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Atranorin / Fumarprotocetraric acid / Lichen plant aromatic acids	479-20-9	68066

Structure

Other Information

Canonical SMILES	CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O
Iso SMILES	CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O
InChI	InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
InChI Key	YLOYKYXNDHOHHT-UHFFFAOYSA-N
Formula	C19H18O8
Mol Weight	374.341
XlogP3	4.3
Charge	0

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Synonyms Information

CAS Name	3-formyl-2,4-dihydroxy-6-methylbenzoic acid (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) ester
IUPAC Name	(3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl) 3-formyl-2,4-dihydroxy-6-methyl-benzoate
Openeye Name	(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate
Systematic Name	(4-methoxycarbonyl-2,5-dimethyl-3-oxidanyl-phenyl) 3-methanoyl-6-methyl-2,4-bis(oxidanyl)benzoate
Tratitional Name	(4-methoxycarbonyl-2,5-dimethyl-3-oxidanyl-phenyl) 3-methanoyl-6-methyl-2,4-bis(oxidanyl)benzoate