(4-chloranyl-3,5-dimethyl-phenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C14H13ClN2O5S MolecularWeight: 356.78142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O5S/c1-8-5-10(6-9(2)14(8)15)22-23(20,21)11-3-4-12(16)13(7-11)17(18)19/h3-7H,16H2,1-2H3