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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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