3-[2-(4-nitrophenyl)sulfanylethoxy]benzoate

Systemtic Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzoate Openeye Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzoate CAS Name: 3-[2-[(4-nitrophenyl)thio]ethoxy]benzoate IUPAC Name: 3-[2-(4-nitrophenyl)sulfanylethoxy]benzoate Traditional Name: 3-[2-[(4-nitrophenyl)thio]ethoxy]benzoate Formula: C15H12NO5S- MolecularWeight: 318.32448

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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)/p-1