Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Musk xylene	81-15-2	62329

Structure

Other Information

Canonical SMILES	CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
Iso SMILES	CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
InChI	InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChI Key	XMWRWTSZNLOZFN-UHFFFAOYSA-N
Formula	C12H15N3O6
Mol Weight	297.264
XlogP3	3.8
Charge	0

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Synonyms Information

CAS Name	1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
IUPAC Name	1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene
Openeye Name	1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
Systematic Name	1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene
Tratitional Name	1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene