[4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] methanesulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] methanesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] ester Formula: C11H13NO6S3 MolecularWeight: 351.41902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])C2SCCS2

Isomeric SMILES

COC1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])C2SCCS2

InChI

InChI=1S/C11H13NO6S3/c1-17-9-6-7(11-19-3-4-20-11)5-8(12(13)14)10(9)18-21(2,15)16/h5-6,11H,3-4H2,1-2H3