sodium 4-chloranyl-3-nitro-benzenesulfonate hydrate

Systemtic Name: sodium 4-chloranyl-3-nitro-benzenesulfonate hydrate Openeye Name: sodium 4-chloro-3-nitro-benzenesulfonate hydrate CAS Name: sodium 4-chloro-3-nitrobenzenesulfonate hydrate IUPAC Name: sodium 4-chloro-3-nitrobenzenesulfonate hydrate Traditional Name: sodium 4-chloro-3-nitro-besylate hydrate Formula: C6H5ClNNaO6S MolecularWeight: 277.61477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.O.[Na+]

InChI

InChI=1S/C6H4ClNO5S.Na.H2O/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;;/h1-3H,(H,11,12,13);;1H2/q;+1;/p-1