(4-phenylmethoxyphenyl) 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (4-phenylmethoxyphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (4-benzyloxyphenyl) 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (4-benzoxyphenyl) ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CCSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CCSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO5S/c24-22(14-15-29-21-12-6-18(7-13-21)23(25)26)28-20-10-8-19(9-11-20)27-16-17-4-2-1-3-5-17/h1-13H,14-16H2