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

Systemtic Name: (4-methoxycarbonylphenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-carbomethoxyphenyl) ester Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6S/c1-22-15(18)10-3-6-12(7-4-10)23-16(19)11-5-8-14(24-2)13(9-11)17(20)21/h3-9H,1-2H3