sodium 3,5-bis(bromanyl)-4-nitroso-benzenesulfonate hydrate

Systemtic Name: sodium 3,5-bis(bromanyl)-4-nitroso-benzenesulfonate hydrate Openeye Name: sodium 3,5-dibromo-4-nitroso-benzenesulfonate hydrate CAS Name: sodium 3,5-dibromo-4-nitrosobenzenesulfonate hydrate IUPAC Name: sodium 3,5-dibromo-4-nitrosobenzenesulfonate hydrate Traditional Name: sodium 3,5-dibromo-4-nitroso-besylate hydrate Formula: C6H4Br2NNaO5S MolecularWeight: 384.96243

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)N=O)Br)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1Br)N=O)Br)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C6H3Br2NO4S.Na.H2O/c7-4-1-3(14(11,12)13)2-5(8)6(4)9-10;;/h1-2H,(H,11,12,13);;1H2/q;+1;/p-1