(NE)-N-[[2,6-bis(fluoranyl)-3-methylsulfonyl-phenyl]methylidene]hydroxylamine; (3,3,5-trimethylcyclohexyl)carbamic acid

Systemtic Name: (NE)-N-[[2,6-bis(fluoranyl)-3-methylsulfonyl-phenyl]methylidene]hydroxylamine; (3,3,5-trimethylcyclohexyl)carbamic acid Openeye Name: (1E)-2,6-difluoro-3-methylsulfonyl-benzaldehyde oxime; (3,3,5-trimethylcyclohexyl)carbamic acid CAS Name: (1E)-2,6-difluoro-3-methylsulfonylbenzaldehyde oxime; (3,3,5-trimethylcyclohexyl)carbamic acid IUPAC Name: (NE)-N-[(2,6-difluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine; (3,3,5-trimethylcyclohexyl)carbamic acid Traditional Name: (1E)-2,6-difluoro-3-mesyl-benzaldoxime; (3,3,5-trimethylcyclohexyl)carbamic acid Formula: C18H26F2N2O5S MolecularWeight: 420.471246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=O)O.CS(=O)(=O)C1=C(C(=C(C=C1)F)C=NO)F

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=O)O.CS(=O)(=O)C1=C(C(=C(C=C1)F)/C=N/O)F

InChI

InChI=1S/C10H19NO2.C8H7F2NO3S/c1-7-4-8(11-9(12)13)6-10(2,3)5-7;1-15(13,14)7-3-2-6(9)5(4-11-12)8(7)10/h7-8,11H,4-6H2,1-3H3,(H,12,13);2-4,12H,1H3/b;11-4+