(3-nitrophenyl)methyl 2-(phenylmethylsulfanyl)benzoate

Systemtic Name: (3-nitrophenyl)methyl 2-(phenylmethylsulfanyl)benzoate Openeye Name: (3-nitrophenyl)methyl 2-benzylsulfanylbenzoate CAS Name: 2-(phenylmethylthio)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-benzylsulfanylbenzoate Traditional Name: 2-(benzylthio)benzoic acid (3-nitrobenzyl) ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO4S/c23-21(26-14-17-9-6-10-18(13-17)22(24)25)19-11-4-5-12-20(19)27-15-16-7-2-1-3-8-16/h1-13H,14-15H2