(6-chloranyl-2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-nitrobenzenesulfonate

Systemtic Name: (6-chloranyl-2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-nitrobenzenesulfonate Openeye Name: (6-chloro-2-oxo-1,3-benzoxathiol-5-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (6-chloro-2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (6-chloro-2-oxo-1,3-benzoxathiol-5-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (6-chloro-2-keto-1,3-benzoxathiol-5-yl) ester Formula: C13H6ClNO7S2 MolecularWeight: 387.77224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C=C3C(=C2)SC(=O)O3)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C=C3C(=C2)SC(=O)O3)Cl

InChI

InChI=1S/C13H6ClNO7S2/c14-9-5-11-12(23-13(16)21-11)6-10(9)22-24(19,20)8-3-1-7(2-4-8)15(17)18/h1-6H