pyridazin-4-yl 2-chloranyl-5-(2-cyclopropylphenoxy)-4-nitro-benzenesulfonate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropylphenoxy)-4-nitro-benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropylphenoxy)-4-nitro-benzenesulfonate CAS Name: 2-chloro-5-(2-cyclopropylphenoxy)-4-nitrobenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropylphenoxy)-4-nitrobenzenesulfonate Traditional Name: 2-chloro-5-(2-cyclopropylphenoxy)-4-nitro-benzenesulfonic acid pyridazin-4-yl ester Formula: C19H14ClN3O6S MolecularWeight: 447.84896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC=CC=C2OC3=CC(=C(C=C3[N+](=O)[O-])Cl)S(=O)(=O)OC4=CN=NC=C4

Isomeric SMILES

C1CC1C2=CC=CC=C2OC3=CC(=C(C=C3[N+](=O)[O-])Cl)S(=O)(=O)OC4=CN=NC=C4

InChI

InChI=1S/C19H14ClN3O6S/c20-15-9-16(23(24)25)18(28-17-4-2-1-3-14(17)12-5-6-12)10-19(15)30(26,27)29-13-7-8-21-22-11-13/h1-4,7-12H,5-6H2