(2-ethoxyphenyl) 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: (2-ethoxyphenyl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid o-phenetyl ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO6S/c1-3-21-13-8-4-5-9-14(13)22-23(19,20)15-10-6-7-12(11(15)2)16(17)18/h4-10H,3H2,1-2H3