(4-methylphenyl) 5-azanyl-2-chloranyl-benzenesulfonate

Systemtic Name: (4-methylphenyl) 5-azanyl-2-chloranyl-benzenesulfonate Openeye Name: p-tolyl 5-amino-2-chloro-benzenesulfonate CAS Name: 5-amino-2-chlorobenzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5-amino-2-chlorobenzenesulfonate Traditional Name: 5-amino-2-chloro-benzenesulfonic acid p-tolyl ester Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C13H12ClNO3S/c1-9-2-5-11(6-3-9)18-19(16,17)13-8-10(15)4-7-12(13)14/h2-8H,15H2,1H3