3-(chloromethyl)-2-nitro-benzenesulfonic acid

Systemtic Name: 3-(chloromethyl)-2-nitro-benzenesulfonic acid Openeye Name: 3-(chloromethyl)-2-nitro-benzenesulfonic acid CAS Name: 3-(chloromethyl)-2-nitrobenzenesulfonic acid IUPAC Name: 3-(chloromethyl)-2-nitrobenzenesulfonic acid Traditional Name: 3-(chloromethyl)-2-nitro-besylic acid Formula: C7H6ClNO5S MolecularWeight: 251.64424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6ClNO5S/c8-4-5-2-1-3-6(15(12,13)14)7(5)9(10)11/h1-3H,4H2,(H,12,13,14)