(3,4-dimethoxy-2-nitro-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3,4-dimethoxy-2-nitro-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (3,4-dimethoxy-2-nitro-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,4-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (3,4-dimethoxy-2-nitrophenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,4-dimethoxy-2-nitro-benzyl) ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7S/c1-11-4-7-13(8-5-11)25(20,21)24-10-12-6-9-14(22-2)16(23-3)15(12)17(18)19/h4-9H,10H2,1-3H3