Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Musk tibetene	145-39-1	67350

Structure

Other Information

Canonical SMILES	CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C
Iso SMILES	CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C
InChI	InChI=1S/C13H18N2O4/c1-7-8(2)11(14(16)17)10(13(4,5)6)12(9(7)3)15(18)19/h1-6H3
InChI Key	MINYPECWDZURGR-UHFFFAOYSA-N
Formula	C13H18N2O4
Mol Weight	266.293
XlogP3	4.3
Charge	0

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Synonyms Information

CAS Name	1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene
IUPAC Name	1-tert-butyl-3,4,5-trimethyl-2,6-dinitro-benzene
Openeye Name	1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene
Systematic Name	1-tert-butyl-3,4,5-trimethyl-2,6-dinitro-benzene
Tratitional Name	1-tert-butyl-3,4,5-trimethyl-2,6-dinitro-benzene