(phenylmethyl) 3-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: (phenylmethyl) 3-(4-nitrophenyl)sulfonylpropanoate Openeye Name: benzyl 3-(4-nitrophenyl)sulfonylpropanoate CAS Name: 3-(4-nitrophenyl)sulfonylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-nitrophenyl)sulfonylpropanoate Traditional Name: 3-nosylpropionic acid benzyl ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c18-16(23-12-13-4-2-1-3-5-13)10-11-24(21,22)15-8-6-14(7-9-15)17(19)20/h1-9H,10-12H2