2-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid Openeye Name: 2-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid CAS Name: 2-[2-[(4-nitrophenyl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid Traditional Name: 2-[2-[(4-nitrophenyl)thio]ethoxy]benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)OCCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)OCCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c17-15(18)13-3-1-2-4-14(13)21-9-10-22-12-7-5-11(6-8-12)16(19)20/h1-8H,9-10H2,(H,17,18)