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

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-nitrobenzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C13H7NO7S2 MolecularWeight: 353.32718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3

InChI

InChI=1S/C13H7NO7S2/c15-13-20-11-6-3-9(7-12(11)22-13)21-23(18,19)10-4-1-8(2-5-10)14(16)17/h1-7H