(4-chloranyl-3-methyl-phenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: (4-chloro-3-methyl-phenyl) 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C14H12ClNO6S MolecularWeight: 357.76618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO6S/c1-9-7-11(4-5-12(9)15)22-23(19,20)14-8-10(16(17)18)3-6-13(14)21-2/h3-8H,1-2H3