2-ethyl-3-nitro-4-pentylsulfonyl-bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one chloride

Systemtic Name: 2-ethyl-3-nitro-4-pentylsulfonyl-bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one chloride Openeye Name: 2-ethyl-3-nitro-4-pentylsulfonyl-bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one chloride CAS Name: 2-ethyl-3-nitro-4-pentylsulfonyl-6-bicyclo[3.1.1]hepta-1(7),2,4-trienone chloride IUPAC Name: 2-ethyl-3-nitro-4-pentylsulfonylbicyclo[3.1.1]hepta-1(7),2,4-trien-6-one chloride Traditional Name: 4-amylsulfonyl-2-ethyl-3-nitro-bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one chloride Formula: C14H17ClNO5S- MolecularWeight: 346.80648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=C2C=C(C2=O)C(=C1[N+](=O)[O-])CC.[Cl-]

Isomeric SMILES

CCCCCS(=O)(=O)C1=C2C=C(C2=O)C(=C1[N+](=O)[O-])CC.[Cl-]

InChI

InChI=1S/C14H17NO5S.ClH/c1-3-5-6-7-21(19,20)14-11-8-10(13(11)16)9(4-2)12(14)15(17)18;/h8H,3-7H2,1-2H3;1H/p-1