(4-azanyl-3-nitro-phenyl) 3-chloranyl-4-methyl-benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3-chloranyl-4-methyl-benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3-chloro-4-methyl-benzenesulfonate CAS Name: 3-chloro-4-methylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3-chloro-4-methylbenzenesulfonate Traditional Name: 3-chloro-4-methyl-benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C13H11ClN2O5S MolecularWeight: 342.75484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O5S/c1-8-2-4-10(7-11(8)14)22(19,20)21-9-3-5-12(15)13(6-9)16(17)18/h2-7H,15H2,1H3