(4-nitrophenyl)methyl 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: (4-nitrophenyl)methyl 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid (4-nitrobenzyl) ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)SCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClNO4S/c17-14-3-1-2-4-15(14)23-10-9-16(19)22-11-12-5-7-13(8-6-12)18(20)21/h1-8H,9-11H2