phenyl (5-nitro-2-oxidanyl-phenyl)methanesulfonate

Systemtic Name: phenyl (5-nitro-2-oxidanyl-phenyl)methanesulfonate Openeye Name: phenyl (2-hydroxy-5-nitro-phenyl)methanesulfonate CAS Name: (2-hydroxy-5-nitrophenyl)methanesulfonic acid phenyl ester IUPAC Name: phenyl (2-hydroxy-5-nitrophenyl)methanesulfonate Traditional Name: (2-hydroxy-5-nitro-phenyl)methanesulfonic acid phenyl ester Formula: C13H11NO6S MolecularWeight: 309.29454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H11NO6S/c15-13-7-6-11(14(16)17)8-10(13)9-21(18,19)20-12-4-2-1-3-5-12/h1-8,15H,9H2