methyl 5-nitro-2-(phenylmethylsulfanyl)benzoate

Systemtic Name: methyl 5-nitro-2-(phenylmethylsulfanyl)benzoate Openeye Name: methyl 2-benzylsulfanyl-5-nitro-benzoate CAS Name: 5-nitro-2-(phenylmethylthio)benzoic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-5-nitrobenzoate Traditional Name: 2-(benzylthio)-5-nitro-benzoic acid methyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C15H13NO4S/c1-20-15(17)13-9-12(16(18)19)7-8-14(13)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3