(2-butylsulfonyloxy-3-nitro-phenyl) butane-1-sulfonate

Systemtic Name: (2-butylsulfonyloxy-3-nitro-phenyl) butane-1-sulfonate Openeye Name: (2-butylsulfonyloxy-3-nitro-phenyl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: (2-butylsulfonyloxy-3-nitrophenyl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (2-butylsulfonyloxy-3-nitro-phenyl) ester Formula: C14H21NO8S2 MolecularWeight: 395.44844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC(=C1OS(=O)(=O)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC(=C1OS(=O)(=O)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C14H21NO8S2/c1-3-5-10-24(18,19)22-13-9-7-8-12(15(16)17)14(13)23-25(20,21)11-6-4-2/h7-9H,3-6,10-11H2,1-2H3