phenyl 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: phenyl 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: phenyl 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-nitro-benzenesulfonic acid phenyl ester Formula: C12H8ClNO5S MolecularWeight: 313.71362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H8ClNO5S/c13-11-7-6-9(14(15)16)8-12(11)20(17,18)19-10-4-2-1-3-5-10/h1-8H