3-nitro-4-phenoxy-5-sulfino-benzoic acid

Systemtic Name: 3-nitro-4-phenoxy-5-sulfino-benzoic acid Openeye Name: 3-nitro-4-phenoxy-5-sulfino-benzoic acid CAS Name: 3-nitro-4-phenoxy-5-sulfinobenzoic acid IUPAC Name: 3-nitro-4-phenoxy-5-sulfinobenzoic acid Traditional Name: 3-nitro-4-phenoxy-5-sulfino-benzoic acid Formula: C13H9NO7S MolecularWeight: 323.27806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO7S/c15-13(16)8-6-10(14(17)18)12(11(7-8)22(19)20)21-9-4-2-1-3-5-9/h1-7H,(H,15,16)(H,19,20)