2-(4-bromanylphenoxy)ethyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: 2-(4-bromophenoxy)ethyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C16H14BrNO5S MolecularWeight: 412.25506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrNO5S/c1-24-15-7-2-11(10-14(15)18(20)21)16(19)23-9-8-22-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3