2-(3-chloranylpropyl)-3,3-dimethyl-6-nitro-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 2-(3-chloranylpropyl)-3,3-dimethyl-6-nitro-1,2-benzothiazole 1,1-dioxide Openeye Name: 2-(3-chloropropyl)-3,3-dimethyl-6-nitro-1,2-benzothiazole 1,1-dioxide CAS Name: 2-(3-chloropropyl)-3,3-dimethyl-6-nitro-1,2-benzothiazole 1,1-dioxide IUPAC Name: 2-(3-chloropropyl)-3,3-dimethyl-6-nitro-1,2-benzothiazole 1,1-dioxide Traditional Name: 2-(3-chloropropyl)-3,3-dimethyl-6-nitro-1,2-benzothiazole 1,1-dioxide Formula: C12H15ClN2O4S MolecularWeight: 318.7765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N1CCCCl)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N1CCCCl)C

InChI

InChI=1S/C12H15ClN2O4S/c1-12(2)10-5-4-9(15(16)17)8-11(10)20(18,19)14(12)7-3-6-13/h4-5,8H,3,6-7H2,1-2H3