(2,4-dimethylphenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (2,4-dimethylphenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (2,4-dimethylphenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (2,4-dimethylphenyl) ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5S/c1-9-3-6-14(10(2)7-9)21-22(19,20)11-4-5-12(15)13(8-11)16(17)18/h3-8H,15H2,1-2H3