(2-nitrophenyl) 4-(2-methoxyethoxy)-3-methyl-benzenesulfonate

Systemtic Name: (2-nitrophenyl) 4-(2-methoxyethoxy)-3-methyl-benzenesulfonate Openeye Name: (2-nitrophenyl) 4-(2-methoxyethoxy)-3-methyl-benzenesulfonate CAS Name: 4-(2-methoxyethoxy)-3-methylbenzenesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-(2-methoxyethoxy)-3-methylbenzenesulfonate Traditional Name: 4-(2-methoxyethoxy)-3-methyl-benzenesulfonic acid (2-nitrophenyl) ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])OCCOC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])OCCOC

InChI

InChI=1S/C16H17NO7S/c1-12-11-13(7-8-15(12)23-10-9-22-2)25(20,21)24-16-6-4-3-5-14(16)17(18)19/h3-8,11H,9-10H2,1-2H3