7-(4-nitrophenyl)-5-oxidanyl-1,3-benzoxathiol-2-one

Systemtic Name: 7-(4-nitrophenyl)-5-oxidanyl-1,3-benzoxathiol-2-one Openeye Name: 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one CAS Name: 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one IUPAC Name: 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one Traditional Name: 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one Formula: C13H7NO5S MolecularWeight: 289.26338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC3=C2OC(=O)S3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC3=C2OC(=O)S3)O)[N+](=O)[O-]

InChI

InChI=1S/C13H7NO5S/c15-9-5-10(12-11(6-9)20-13(16)19-12)7-1-3-8(4-2-7)14(17)18/h1-6,15H