sodium 5-[(E)-(2-phenylethanoylhydrazinylidene)methyl]furan-2-sulfonate

Systemtic Name: sodium 5-[(E)-(2-phenylethanoylhydrazinylidene)methyl]furan-2-sulfonate Openeye Name: sodium 5-[(E)-[(2-phenylacetyl)hydrazono]methyl]furan-2-sulfonate CAS Name: sodium 5-[(E)-[(1-oxo-2-phenylethyl)hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: sodium 5-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate Traditional Name: sodium 5-[(E)-[(2-phenylacetyl)hydrazono]methyl]furan-2-sulfonate Formula: C13H11N2NaO5S MolecularWeight: 330.29161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S.Na/c16-12(8-10-4-2-1-3-5-10)15-14-9-11-6-7-13(20-11)21(17,18)19;/h1-7,9H,8H2,(H,15,16)(H,17,18,19);/q;+1/p-1/b14-9+;