[(1R)-1-phenylethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(1R)-1-phenylethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-phenylethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-1-phenylethyl] ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-11(12-6-4-3-5-7-12)21-16(18)13-8-9-15(22-2)14(10-13)17(19)20/h3-11H,1-2H3/t11-/m1/s1