4-[(2-nitrophenyl)methylsulfanyl]benzoate

Systemtic Name: 4-[(2-nitrophenyl)methylsulfanyl]benzoate Openeye Name: 4-[(2-nitrophenyl)methylsulfanyl]benzoate CAS Name: 4-[(2-nitrophenyl)methylthio]benzoate IUPAC Name: 4-[(2-nitrophenyl)methylsulfanyl]benzoate Traditional Name: 4-[(2-nitrobenzyl)thio]benzoate Formula: C14H10NO4S- MolecularWeight: 288.2985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

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