3-nitro-5-sulfonato-benzoate

Systemtic Name: 3-nitro-5-sulfonato-benzoate Openeye Name: 3-nitro-5-sulfonato-benzoate CAS Name: 3-nitro-5-sulfonatobenzoate IUPAC Name: 3-nitro-5-sulfonatobenzoate Traditional Name: 3-nitro-5-sulfonato-benzoate Formula: C7H3NO7S-2 MolecularWeight: 245.16622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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