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

Systemtic Name: 1-(3,5-disulfofuran-2-yl)-N-(2-methylheptan-2-yl)methanimine oxide Openeye Name: N-(1,1-dimethylhexyl)-1-(3,5-disulfo-2-furyl)methanimine oxide CAS Name: 1-(3,5-disulfo-2-furanyl)-N-(2-methylheptan-2-yl)methanimine oxide IUPAC Name: 1-(3,5-disulfofuran-2-yl)-N-(2-methylheptan-2-yl)methanimine oxide Traditional Name: N-(1,1-dimethylhexyl)-1-(3,5-disulfo-2-furyl)methanimine oxide Formula: C13H21NO8S2 MolecularWeight: 383.43774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO8S2/c1-4-5-6-7-13(2,3)14(15)9-10-11(23(16,17)18)8-12(22-10)24(19,20)21/h8-9H,4-7H2,1-3H3,(H,16,17,18)(H,19,20,21)/b14-9+