sodium 4-methoxy-3-[(E)-methylsulfonyliminomethyl]benzenesulfonate

Systemtic Name: sodium 4-methoxy-3-[(E)-methylsulfonyliminomethyl]benzenesulfonate Openeye Name: sodium 4-methoxy-3-[(E)-methylsulfonyliminomethyl]benzenesulfonate CAS Name: sodium 4-methoxy-3-[(E)-methylsulfonyliminomethyl]benzenesulfonate IUPAC Name: sodium 4-methoxy-3-[(E)-methylsulfonyliminomethyl]benzenesulfonate Traditional Name: sodium 3-[(E)-mesyliminomethyl]-4-methoxy-besylate Formula: C9H10NNaO6S2 MolecularWeight: 315.29857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])C=NS(=O)(=O)C.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])/C=N/S(=O)(=O)C.[Na+]

InChI

InChI=1S/C9H11NO6S2.Na/c1-16-9-4-3-8(18(13,14)15)5-7(9)6-10-17(2,11)12;/h3-6H,1-2H3,(H,13,14,15);/q;+1/p-1/b10-6+;