phenyl 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: phenyl 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: phenyl 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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