(4-chlorophenyl) (3,5-dinitro-2-oxidanyl-phenyl)methanesulfonate

Systemtic Name: (4-chlorophenyl) (3,5-dinitro-2-oxidanyl-phenyl)methanesulfonate Openeye Name: (4-chlorophenyl) (2-hydroxy-3,5-dinitro-phenyl)methanesulfonate CAS Name: (2-hydroxy-3,5-dinitrophenyl)methanesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) (2-hydroxy-3,5-dinitrophenyl)methanesulfonate Traditional Name: (2-hydroxy-3,5-dinitro-phenyl)methanesulfonic acid (4-chlorophenyl) ester Formula: C13H9ClN2O8S MolecularWeight: 388.73716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OS(=O)(=O)CC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OS(=O)(=O)CC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H9ClN2O8S/c14-9-1-3-11(4-2-9)24-25(22,23)7-8-5-10(15(18)19)6-12(13(8)17)16(20)21/h1-6,17H,7H2