(4-nitrophenyl) 2-(phenylmethylsulfanyl)benzoate

Systemtic Name: (4-nitrophenyl) 2-(phenylmethylsulfanyl)benzoate Openeye Name: (4-nitrophenyl) 2-benzylsulfanylbenzoate CAS Name: 2-(phenylmethylthio)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-benzylsulfanylbenzoate Traditional Name: 2-(benzylthio)benzoic acid (4-nitrophenyl) ester Formula: C20H15NO4S MolecularWeight: 365.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO4S/c22-20(25-17-12-10-16(11-13-17)21(23)24)18-8-4-5-9-19(18)26-14-15-6-2-1-3-7-15/h1-13H,14H2