(4-nitrophenyl) 2-phenethyloxysulfinylbenzoate

Systemtic Name: (4-nitrophenyl) 2-phenethyloxysulfinylbenzoate Openeye Name: (4-nitrophenyl) 2-phenethyloxysulfinylbenzoate CAS Name: 2-phenethyloxysulfinylbenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-phenethyloxysulfinylbenzoate Traditional Name: 2-phenethyloxysulfinylbenzoic acid (4-nitrophenyl) ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOS(=O)C2=CC=CC=C2C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOS(=O)C2=CC=CC=C2C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6S/c23-21(28-18-12-10-17(11-13-18)22(24)25)19-8-4-5-9-20(19)29(26)27-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2