4-nitro-3-sulfo-benzoic acid

Systemtic Name: 4-nitro-3-sulfo-benzoic acid Openeye Name: 4-nitro-3-sulfo-benzoic acid CAS Name: 4-nitro-3-sulfobenzoic acid IUPAC Name: 4-nitro-3-sulfobenzoic acid Traditional Name: 4-nitro-3-sulfo-benzoic acid Formula: C7H5NO7S MolecularWeight: 247.1821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H5NO7S/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15/h1-3H,(H,9,10)(H,13,14,15)