3-(2-nitrophenyl)sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-(2-nitrophenyl)sulfanylpropane-1-sulfonic acid Openeye Name: 3-(2-nitrophenyl)sulfanylpropane-1-sulfonic acid CAS Name: 3-[(2-nitrophenyl)thio]-1-propanesulfonic acid IUPAC Name: 3-(2-nitrophenyl)sulfanylpropane-1-sulfonic acid Traditional Name: 3-[(2-nitrophenyl)thio]propane-1-sulfonic acid Formula: C9H11NO5S2 MolecularWeight: 277.31734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO5S2/c11-10(12)8-4-1-2-5-9(8)16-6-3-7-17(13,14)15/h1-2,4-5H,3,6-7H2,(H,13,14,15)