N-butan-2-yl-1-(4,5-disulfofuran-2-yl)methanimine oxide

Systemtic Name: N-butan-2-yl-1-(4,5-disulfofuran-2-yl)methanimine oxide Openeye Name: 1-(4,5-disulfo-2-furyl)-N-sec-butyl-methanimine oxide CAS Name: N-butan-2-yl-1-(4,5-disulfo-2-furanyl)methanimine oxide IUPAC Name: N-butan-2-yl-1-(4,5-disulfofuran-2-yl)methanimine oxide Traditional Name: 1-(4,5-disulfo-2-furyl)-N-sec-butyl-methanimine oxide Formula: C9H13NO8S2 MolecularWeight: 327.33142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+](=CC1=CC(=C(O1)S(=O)(=O)O)S(=O)(=O)O)[O-]

Isomeric SMILES

CCC(C)/[N+](=C\C1=CC(=C(O1)S(=O)(=O)O)S(=O)(=O)O)/[O-]

InChI

InChI=1S/C9H13NO8S2/c1-3-6(2)10(11)5-7-4-8(19(12,13)14)9(18-7)20(15,16)17/h4-6H,3H2,1-2H3,(H,12,13,14)(H,15,16,17)/b10-5+