(4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (4-nitrophenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (4-nitrobenzyl) ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6S/c1-13-2-8-16(9-3-13)25(22,23)11-10-17(19)24-12-14-4-6-15(7-5-14)18(20)21/h2-9H,10-12H2,1H3