5-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]furan-2-sulfonate

Systemtic Name: 5-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]furan-2-sulfonate Openeye Name: 5-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]furan-2-sulfonate CAS Name: 5-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: 5-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]furan-2-sulfonate Traditional Name: 5-[(E)-(piperonyloylhydrazono)methyl]furan-2-sulfonate Formula: C13H9N2O7S- MolecularWeight: 337.28476

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C/C3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C13H10N2O7S/c16-13(8-1-3-10-11(5-8)21-7-20-10)15-14-6-9-2-4-12(22-9)23(17,18)19/h1-6H,7H2,(H,15,16)(H,17,18,19)/p-1/b14-6+