N-(2-methylpropyl)-1-(4-sulfofuran-2-yl)methanimine oxide

Systemtic Name: N-(2-methylpropyl)-1-(4-sulfofuran-2-yl)methanimine oxide Openeye Name: N-isobutyl-1-(4-sulfo-2-furyl)methanimine oxide CAS Name: N-(2-methylpropyl)-1-(4-sulfo-2-furanyl)methanimine oxide IUPAC Name: N-(2-methylpropyl)-1-(4-sulfofuran-2-yl)methanimine oxide Traditional Name: N-isobutyl-1-(4-sulfo-2-furyl)methanimine oxide Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](=CC1=CC(=CO1)S(=O)(=O)O)[O-]

Isomeric SMILES

CC(C)C/[N+](=C\C1=CC(=CO1)S(=O)(=O)O)/[O-]

InChI

InChI=1S/C9H13NO5S/c1-7(2)4-10(11)5-8-3-9(6-15-8)16(12,13)14/h3,5-7H,4H2,1-2H3,(H,12,13,14)/b10-5+