N-(2-methylheptan-2-yl)-1-(4-sulfofuran-3-yl)methanimine oxide

Systemtic Name: N-(2-methylheptan-2-yl)-1-(4-sulfofuran-3-yl)methanimine oxide Openeye Name: N-(1,1-dimethylhexyl)-1-(4-sulfo-3-furyl)methanimine oxide CAS Name: N-(2-methylheptan-2-yl)-1-(4-sulfo-3-furanyl)methanimine oxide IUPAC Name: N-(2-methylheptan-2-yl)-1-(4-sulfofuran-3-yl)methanimine oxide Traditional Name: N-(1,1-dimethylhexyl)-1-(4-sulfo-3-furyl)methanimine oxide Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)[N+](=CC1=COC=C1S(=O)(=O)O)[O-]

Isomeric SMILES

CCCCCC(C)(C)/[N+](=C\C1=COC=C1S(=O)(=O)O)/[O-]

InChI

InChI=1S/C13H21NO5S/c1-4-5-6-7-13(2,3)14(15)8-11-9-19-10-12(11)20(16,17)18/h8-10H,4-7H2,1-3H3,(H,16,17,18)/b14-8+