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

Systemtic Name: sodium 5-[(E)-[(2-chloranyl-4-methyl-phenyl)carbonylhydrazinylidene]methyl]furan-2-sulfonate Openeye Name: sodium 5-[(E)-[(2-chloro-4-methyl-benzoyl)hydrazono]methyl]furan-2-sulfonate CAS Name: sodium 5-[(E)-[[(2-chloro-4-methylphenyl)-oxomethyl]hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: sodium 5-[(E)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]furan-2-sulfonate Traditional Name: sodium 5-[(E)-[(2-chloro-4-methyl-benzoyl)hydrazono]methyl]furan-2-sulfonate Formula: C13H10ClN2NaO5S MolecularWeight: 364.73667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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