(2-chloranyl-4-nitro-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-chloro-4-nitro-benzyl) ester Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO6S/c1-12-2-6-15(7-3-12)26(23,24)9-8-17(20)25-11-13-4-5-14(19(21)22)10-16(13)18/h2-7,10H,8-9,11H2,1H3