N-butan-2-yl-1-(5-sulfofuran-3-yl)methanimine oxide

Systemtic Name: N-butan-2-yl-1-(5-sulfofuran-3-yl)methanimine oxide Openeye Name: N-sec-butyl-1-(5-sulfo-3-furyl)methanimine oxide CAS Name: N-butan-2-yl-1-(5-sulfo-3-furanyl)methanimine oxide IUPAC Name: N-butan-2-yl-1-(5-sulfofuran-3-yl)methanimine oxide Traditional Name: N-sec-butyl-1-(5-sulfo-3-furyl)methanimine oxide Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+](=CC1=COC(=C1)S(=O)(=O)O)[O-]

Isomeric SMILES

CCC(C)/[N+](=C\C1=COC(=C1)S(=O)(=O)O)/[O-]

InChI

InChI=1S/C9H13NO5S/c1-3-7(2)10(11)5-8-4-9(15-6-8)16(12,13)14/h4-7H,3H2,1-2H3,(H,12,13,14)/b10-5+