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

Systemtic Name: 1-(3,5-disulfofuran-2-yl)-N-(phenylmethyl)methanimine oxide Openeye Name: N-benzyl-1-(3,5-disulfo-2-furyl)methanimine oxide CAS Name: 1-(3,5-disulfo-2-furanyl)-N-(phenylmethyl)methanimine oxide IUPAC Name: N-benzyl-1-(3,5-disulfofuran-2-yl)methanimine oxide Traditional Name: N-benzyl-1-(3,5-disulfo-2-furyl)methanimine oxide Formula: C12H11NO8S2 MolecularWeight: 361.34764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](=CC2=C(C=C(O2)S(=O)(=O)O)S(=O)(=O)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C/[N+](=C/C2=C(C=C(O2)S(=O)(=O)O)S(=O)(=O)O)/[O-]

InChI

InChI=1S/C12H11NO8S2/c14-13(7-9-4-2-1-3-5-9)8-10-11(22(15,16)17)6-12(21-10)23(18,19)20/h1-6,8H,7H2,(H,15,16,17)(H,18,19,20)/b13-8-