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

Systemtic Name: (4-phenoxyphenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-phenoxyphenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-phenoxyphenyl) ester IUPAC Name: (4-phenoxyphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-phenoxyphenyl) ester Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO5S/c1-27-19-12-7-14(13-18(19)21(23)24)20(22)26-17-10-8-16(9-11-17)25-15-5-3-2-4-6-15/h2-13H,1H3