(4-methylsulfanylphenyl)methyl 3-nitrobenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-nitrobenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(methylthio)benzyl] ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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