(2-chloranyl-5-methyl-phenyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-chloro-5-methyl-phenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C15H12ClNO4S MolecularWeight: 337.77808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO4S/c1-9-3-5-11(16)13(7-9)21-15(18)10-4-6-14(22-2)12(8-10)17(19)20/h3-8H,1-2H3