1-nitrohex-5-en-3-ylsulfonylbenzene

Systemtic Name: 1-nitrohex-5-en-3-ylsulfonylbenzene Openeye Name: 1-(2-nitroethyl)but-3-enylsulfonylbenzene CAS Name: 1-nitrohex-5-en-3-ylsulfonylbenzene IUPAC Name: 1-nitrohex-5-en-3-ylsulfonylbenzene Traditional Name: 1-(2-nitroethyl)but-3-enylsulfonylbenzene Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC[N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

C=CCC(CC[N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H15NO4S/c1-2-6-11(9-10-13(14)15)18(16,17)12-7-4-3-5-8-12/h2-5,7-8,11H,1,6,9-10H2