[(1R)-1-(2-chlorophenyl)ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(1R)-1-(2-chlorophenyl)ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-(2-chlorophenyl)ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO4S/c1-10(12-5-3-4-6-13(12)17)22-16(19)11-7-8-15(23-2)14(9-11)18(20)21/h3-10H,1-2H3/t10-/m1/s1