(4-nitrophenyl)methyl 4-methylsulfanylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfanylbenzoate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (4-nitrobenzyl) ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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