Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Musk ketone 81-14-1 6669
Structure Other Information
Canonical SMILES CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
Iso SMILES CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
InChI InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
InChI Key WXCMHFPAUCOJIG-UHFFFAOYSA-N
Formula C14H18N2O5
Mol Weight 294.303
XlogP3 3.7
Charge 0

Click structure image, you can go to pubchem link...

Synonyms Information
CAS Name 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
IUPAC Name 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone
Openeye Name 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Systematic Name 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone
Tratitional Name 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone