(2-chloranyl-4-nitro-phenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid (2-chloro-4-nitro-benzyl) ester Formula: C22H18ClNO6S MolecularWeight: 459.89942

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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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO6S/c1-15-2-10-20(11-3-15)31(28,29)14-16-4-6-17(7-5-16)22(25)30-13-18-8-9-19(24(26)27)12-21(18)23/h2-12H,13-14H2,1H3