(4-ethylsulfonyl-2-oxidanidyl-phthalazin-2-ium-1-yl) 4-chloranylbenzoate

Systemtic Name: (4-ethylsulfonyl-2-oxidanidyl-phthalazin-2-ium-1-yl) 4-chloranylbenzoate Openeye Name: (4-ethylsulfonyl-2-oxido-phthalazin-2-ium-1-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (4-ethylsulfonyl-2-oxido-1-phthalazin-2-iumyl) ester IUPAC Name: (4-ethylsulfonyl-2-oxidophthalazin-2-ium-1-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (4-esyl-2-oxido-phthalazin-2-ium-1-yl) ester Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=N[N+](=C(C2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=N[N+](=C(C2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C17H13ClN2O5S/c1-2-26(23,24)15-13-5-3-4-6-14(13)16(20(22)19-15)25-17(21)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3