Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
2-Hydroxy-4-methoxybenzophenon-5-sulphonic acid 4065-45-6 19988
Structure Other Information
Canonical SMILES COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
Iso SMILES COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
InChI InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
InChI Key CXVGEDCSTKKODG-UHFFFAOYSA-N
Formula C14H12O6S
Mol Weight 308.306
XlogP3 2.2
Charge 0

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Synonyms Information
CAS Name 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
IUPAC Name 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid
Openeye Name 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
Systematic Name 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid
Tratitional Name 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid