(3-nitrophenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (3-nitrophenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: (3-nitrophenyl) 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid (3-nitrophenyl) ester Formula: C13H10N2O8S MolecularWeight: 354.2921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O8S/c1-22-12-6-5-10(15(18)19)8-13(12)24(20,21)23-11-4-2-3-9(7-11)14(16)17/h2-8H,1H3