6-[(4-chloranyl-3-methyl-1H-imidazol-3-ium-5-yl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[(4-chloranyl-3-methyl-1H-imidazol-3-ium-5-yl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(4-chloro-3-methyl-1H-imidazol-3-ium-5-yl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(4-chloro-3-methyl-1H-imidazol-3-ium-5-yl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(4-chloro-3-methyl-1H-imidazol-3-ium-5-yl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(4-chloro-3-methyl-1H-imidazol-3-ium-5-yl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C13H13ClN3O6S+ MolecularWeight: 374.77682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC(=C1Cl)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3

Isomeric SMILES

C[N+]1=CNC(=C1Cl)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3

InChI

InChI=1S/C13H12ClN3O6S/c1-17-6-15-12(11(17)14)24(20,21)16-8-5-10-9(22-2-3-23-10)4-7(8)13(18)19/h4-6,16H,2-3H2,1H3,(H,18,19)/p+1