(3-nitrophenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (3-nitrophenyl)methyl 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid (3-nitrobenzyl) ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO6S/c1-16-5-11-21(12-6-16)30(27,28)15-17-7-9-19(10-8-17)22(24)29-14-18-3-2-4-20(13-18)23(25)26/h2-13H,14-15H2,1H3