3-nitro-4-sulfo-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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