sodium 5-[(E)-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylhydrazinylidene]methyl]furan-2-sulfonate

Systemtic Name: sodium 5-[(E)-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylhydrazinylidene]methyl]furan-2-sulfonate Openeye Name: sodium 5-[(E)-[[2-(2-bromo-4-chloro-phenoxy)acetyl]hydrazono]methyl]furan-2-sulfonate CAS Name: sodium 5-[(E)-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: sodium 5-[(E)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate Traditional Name: sodium 5-[(E)-[[2-(2-bromo-4-chloro-phenoxy)acetyl]hydrazono]methyl]furan-2-sulfonate Formula: C13H9BrClN2NaO6S MolecularWeight: 459.63213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Br)OCC(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Br)OCC(=O)N/N=C/C2=CC=C(O2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H10BrClN2O6S.Na/c14-10-5-8(15)1-3-11(10)22-7-12(18)17-16-6-9-2-4-13(23-9)24(19,20)21;/h1-6H,7H2,(H,17,18)(H,19,20,21);/q;+1/p-1/b16-6+;