(4-methyl-2-nitro-phenyl) 4-(2-methoxyethoxy)-3-methyl-benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-(2-methoxyethoxy)-3-methyl-benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-(2-methoxyethoxy)-3-methyl-benzenesulfonate CAS Name: 4-(2-methoxyethoxy)-3-methylbenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-(2-methoxyethoxy)-3-methylbenzenesulfonate Traditional Name: 4-(2-methoxyethoxy)-3-methyl-benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C17H19NO7S MolecularWeight: 381.40026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7S/c1-12-4-6-17(15(10-12)18(19)20)25-26(21,22)14-5-7-16(13(2)11-14)24-9-8-23-3/h4-7,10-11H,8-9H2,1-3H3