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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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