3-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(4-nitrophenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(4-nitrophenyl)thio]ethoxy]benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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