1-(3,5-disulfofuran-2-yl)-N-(2-methylpropyl)methanimine oxide

Systemtic Name: 1-(3,5-disulfofuran-2-yl)-N-(2-methylpropyl)methanimine oxide Openeye Name: 1-(3,5-disulfo-2-furyl)-N-isobutyl-methanimine oxide CAS Name: 1-(3,5-disulfo-2-furanyl)-N-(2-methylpropyl)methanimine oxide IUPAC Name: 1-(3,5-disulfofuran-2-yl)-N-(2-methylpropyl)methanimine oxide Traditional Name: 1-(3,5-disulfo-2-furyl)-N-isobutyl-methanimine oxide Formula: C9H13NO8S2 MolecularWeight: 327.33142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO8S2/c1-6(2)4-10(11)5-7-8(19(12,13)14)3-9(18-7)20(15,16)17/h3,5-6H,4H2,1-2H3,(H,12,13,14)(H,15,16,17)/b10-5+