(E)-2-diazonioethenolate; 6-[(4-methylphenyl)sulfonylamino]hexanoic acid

Systemtic Name: (E)-2-diazonioethenolate; 6-[(4-methylphenyl)sulfonylamino]hexanoic acid Openeye Name: (E)-2-diazonioethenolate; 6-(p-tolylsulfonylamino)hexanoic acid CAS Name: (E)-2-diazonioethenolate; 6-[(4-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: (E)-2-diazonioethenolate; 6-[(4-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: (E)-2-diazonioethenolate; 6-(tosylamino)hexanoic acid Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)O.C(=C[O-])[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)O.C(=C/[O-])\[N+]#N

InChI

InChI=1S/C13H19NO4S.C2H2N2O/c1-11-6-8-12(9-7-11)19(17,18)14-10-4-2-3-5-13(15)16;3-4-1-2-5/h6-9,14H,2-5,10H2,1H3,(H,15,16);1-2H/b;2-1+