(4-nitro-2-thiophen-2-yl-phenyl) 3-methylsulfonylbenzenesulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 3-methylsulfonylbenzenesulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C17H13NO7S3 MolecularWeight: 439.48262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H13NO7S3/c1-27(21,22)13-4-2-5-14(11-13)28(23,24)25-16-8-7-12(18(19)20)10-15(16)17-6-3-9-26-17/h2-11H,1H3