1-(3-nitrophenyl)ethyl 4-methylsulfanylbenzoate

Systemtic Name: 1-(3-nitrophenyl)ethyl 4-methylsulfanylbenzoate Openeye Name: 1-(3-nitrophenyl)ethyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid 1-(3-nitrophenyl)ethyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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