phenyl 3-chloranyl-4-nitro-benzenesulfonate

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

Isomeric SMILES

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

InChI

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