3-nitrooctylsulfonylbenzene

Systemtic Name: 3-nitrooctylsulfonylbenzene Openeye Name: 3-nitrooctylsulfonylbenzene CAS Name: 3-nitrooctylsulfonylbenzene IUPAC Name: 3-nitrooctylsulfonylbenzene Traditional Name: 3-nitrooctylsulfonylbenzene Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-2-3-5-8-13(15(16)17)11-12-20(18,19)14-9-6-4-7-10-14/h4,6-7,9-10,13H,2-3,5,8,11-12H2,1H3