3-nitrobutylsulfonylbenzene

Systemtic Name: 3-nitrobutylsulfonylbenzene Openeye Name: 3-nitrobutylsulfonylbenzene CAS Name: 3-nitrobutylsulfonylbenzene IUPAC Name: 3-nitrobutylsulfonylbenzene Traditional Name: 3-nitrobutylsulfonylbenzene Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)C1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CCS(=O)(=O)C1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO4S/c1-9(11(12)13)7-8-16(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3