(4-bromophenyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-bromophenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-bromophenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-bromophenyl) ester Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrNO4S/c1-21-13-7-2-9(8-12(13)16(18)19)14(17)20-11-5-3-10(15)4-6-11/h2-8H,1H3