2,6-bis(chloranyl)-3-nitro-benzenesulfonic acid; urea

Systemtic Name: 2,6-bis(chloranyl)-3-nitro-benzenesulfonic acid; urea Openeye Name: 2,6-dichloro-3-nitro-benzenesulfonic acid; urea CAS Name: 2,6-dichloro-3-nitrobenzenesulfonic acid; urea IUPAC Name: 2,6-dichloro-3-nitrobenzenesulfonic acid; urea Traditional Name: 2,6-dichloro-3-nitro-besylic acid; urea Formula: C7H7Cl2N3O6S MolecularWeight: 332.11798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3Cl2NO5S.CH4N2O/c7-3-1-2-4(9(10)11)5(8)6(3)15(12,13)14;2-1(3)4/h1-2H,(H,12,13,14);(H4,2,3,4)