methyl 4-[[4-(4-methylphenyl)sulfonylphenyl]methoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[[4-(4-methylphenyl)sulfonylphenyl]methoxy]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[[4-(p-tolylsulfonyl)phenyl]methoxy]benzoate CAS Name: 4-[[4-(4-methylphenyl)sulfonylphenyl]methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylphenyl)sulfonylphenyl]methoxy]-3-nitrobenzoate Traditional Name: 3-nitro-4-(4-tosylbenzyl)oxy-benzoic acid methyl ester Formula: C22H19NO7S MolecularWeight: 441.45376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO7S/c1-15-3-8-18(9-4-15)31(27,28)19-10-5-16(6-11-19)14-30-21-12-7-17(22(24)29-2)13-20(21)23(25)26/h3-13H,14H2,1-2H3