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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

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