(4-nitrophenyl)methyl 4-[(phenylmethylsulfanyl)methyl]benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-[(phenylmethylsulfanyl)methyl]benzoate Openeye Name: (4-nitrophenyl)methyl 4-(benzylsulfanylmethyl)benzoate CAS Name: 4-[(phenylmethylthio)methyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(benzylsulfanylmethyl)benzoate Traditional Name: 4-[(benzylthio)methyl]benzoic acid (4-nitrobenzyl) ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO4S/c24-22(27-14-17-8-12-21(13-9-17)23(25)26)20-10-6-19(7-11-20)16-28-15-18-4-2-1-3-5-18/h1-13H,14-16H2