2-[(3-nitrophenyl)methylsulfanyl]benzoate

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]benzoate Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]benzoate CAS Name: 2-[(3-nitrophenyl)methylthio]benzoate IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(3-nitrobenzyl)thio]benzoate Formula: C14H10NO4S- MolecularWeight: 288.2985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4S/c16-14(17)12-6-1-2-7-13(12)20-9-10-4-3-5-11(8-10)15(18)19/h1-8H,9H2,(H,16,17)/p-1