5-[(E)-[(3-chloranyl-4-methyl-phenyl)carbonylhydrazinylidene]methyl]furan-2-sulfonate

Systemtic Name: 5-[(E)-[(3-chloranyl-4-methyl-phenyl)carbonylhydrazinylidene]methyl]furan-2-sulfonate Openeye Name: 5-[(E)-[(3-chloro-4-methyl-benzoyl)hydrazono]methyl]furan-2-sulfonate CAS Name: 5-[(E)-[[(3-chloro-4-methylphenyl)-oxomethyl]hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: 5-[(E)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]furan-2-sulfonate Traditional Name: 5-[(E)-[(3-chloro-4-methyl-benzoyl)hydrazono]methyl]furan-2-sulfonate Formula: C13H10ClN2O5S- MolecularWeight: 341.7469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=C(O2)S(=O)(=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O5S/c1-8-2-3-9(6-11(8)14)13(17)16-15-7-10-4-5-12(21-10)22(18,19)20/h2-7H,1H3,(H,16,17)(H,18,19,20)/p-1/b15-7+