(2-methyl-5-nitro-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-5-nitro-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (2-methyl-5-nitro-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-5-nitrophenyl)methyl ester IUPAC Name: (2-methyl-5-nitrophenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-5-nitro-benzyl) ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c1-11-3-7-15(8-4-11)22(19,20)21-10-13-9-14(16(17)18)6-5-12(13)2/h3-9H,10H2,1-2H3