Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Octyl gallate 1034-01-1 61253
Structure Other Information
Canonical SMILES CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Iso SMILES CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
InChI Key NRPKURNSADTHLJ-UHFFFAOYSA-N
Formula C15H22O5
Mol Weight 282.332
XlogP3 3.7
Charge 0

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Synonyms Information
CAS Name 3,4,5-trihydroxybenzoic acid octyl ester
IUPAC Name octyl 3,4,5-trihydroxybenzoate
Openeye Name octyl 3,4,5-trihydroxybenzoate
Systematic Name octyl 3,4,5-tris(oxidanyl)benzoate
Tratitional Name octyl 3,4,5-tris(oxidanyl)benzoate