(2-chloranyl-4-nitro-phenyl) 4-ethylbenzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-ethylbenzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H12ClNO5S/c1-2-10-3-6-12(7-4-10)22(19,20)21-14-8-5-11(16(17)18)9-13(14)15/h3-9H,2H2,1H3