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

Systemtic Name: (2-methoxy-4-methyl-phenyl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: (2-methoxy-4-methyl-phenyl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid (2-methoxy-4-methyl-phenyl) ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-])OC

InChI

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