(2-methoxy-5-nitro-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7S/c1-13-3-6-16(7-4-13)27(23,24)10-9-18(20)26-12-14-11-15(19(21)22)5-8-17(14)25-2/h3-8,11H,9-10,12H2,1-2H3