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

Systemtic Name: N-(2-methylheptan-2-yl)-1-(2-sulfofuran-3-yl)methanimine oxide Openeye Name: N-(1,1-dimethylhexyl)-1-(2-sulfo-3-furyl)methanimine oxide CAS Name: N-(2-methylheptan-2-yl)-1-(2-sulfo-3-furanyl)methanimine oxide IUPAC Name: N-(2-methylheptan-2-yl)-1-(2-sulfofuran-3-yl)methanimine oxide Traditional Name: N-(1,1-dimethylhexyl)-1-(2-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=C(OC=C1)S(=O)(=O)O)[O-]

Isomeric SMILES

CCCCCC(C)(C)/[N+](=C\C1=C(OC=C1)S(=O)(=O)O)/[O-]

InChI

InChI=1S/C13H21NO5S/c1-4-5-6-8-13(2,3)14(15)10-11-7-9-19-12(11)20(16,17)18/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18)/b14-10+