(2-methylphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-methylphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: o-tolylmethyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-methylbenzyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c1-11-5-3-4-6-13(11)10-21-16(18)12-7-8-15(22-2)14(9-12)17(19)20/h3-9H,10H2,1-2H3