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

Systemtic Name: 1-(4,5-disulfofuran-2-yl)-N-propyl-methanimine oxide Openeye Name: 1-(4,5-disulfo-2-furyl)-N-propyl-methanimine oxide CAS Name: 1-(4,5-disulfo-2-furanyl)-N-propylmethanimine oxide IUPAC Name: 1-(4,5-disulfofuran-2-yl)-N-propylmethanimine oxide Traditional Name: 1-(4,5-disulfo-2-furyl)-N-propyl-methanimine oxide Formula: C8H11NO8S2 MolecularWeight: 313.30484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO8S2/c1-2-3-9(10)5-6-4-7(18(11,12)13)8(17-6)19(14,15)16/h4-5H,2-3H2,1H3,(H,11,12,13)(H,14,15,16)/b9-5+