2-(4-chlorophenyl)sulfonyl-5-nitro-benzenesulfonic acid; sodium

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-5-nitro-benzenesulfonic acid; sodium Openeye Name: 2-(4-chlorophenyl)sulfonyl-5-nitro-benzenesulfonic acid; sodium CAS Name: 2-(4-chlorophenyl)sulfonyl-5-nitrobenzenesulfonic acid; sodium IUPAC Name: 2-(4-chlorophenyl)sulfonyl-5-nitrobenzenesulfonic acid; sodium Traditional Name: 2-(4-chlorophenyl)sulfonyl-5-nitro-besylic acid; sodium Formula: C12H8ClNNaO7S2 MolecularWeight: 400.76719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)Cl.[Na]

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)Cl.[Na]

InChI

InChI=1S/C12H8ClNO7S2.Na/c13-8-1-4-10(5-2-8)22(17,18)11-6-3-9(14(15)16)7-12(11)23(19,20)21;/h1-7H,(H,19,20,21);