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

Systemtic Name: (4-methoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-methoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid p-anisyl ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-21-13-6-3-11(4-7-13)10-22-16(18)12-5-8-15(23-2)14(9-12)17(19)20/h3-9H,10H2,1-2H3