(2-chloranyl-4-fluoranyl-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: (2-chloro-4-fluoro-phenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (2-chloro-4-fluorophenyl) ester IUPAC Name: (2-chloro-4-fluorophenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (2-chloro-4-fluoro-phenyl) ester Formula: C14H11ClFNO4S MolecularWeight: 343.757843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C14H11ClFNO4S/c1-9(18)17-11-3-5-12(6-4-11)22(19,20)21-14-7-2-10(16)8-13(14)15/h2-8H,1H3,(H,17,18)