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

Systemtic Name: (4-methoxyphenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-methoxyphenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-methoxyphenyl) ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-20-11-4-6-12(7-5-11)21-15(17)10-3-8-14(22-2)13(9-10)16(18)19/h3-9H,1-2H3